A0A5K4F456_SCHMA Loading...

Cellulase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F456, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 367 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.5	Very low	40.1	Very low	234 Å²	234	171.3 Å²	171.3	100%	1.153	80%	0.795	S	S	*	*				0	116.9	0	-151.6	169.8	-178.2	0	0	106.8
2	R	37.1	Very low	40	Very low	223 Å²	223	174.9 Å²	174.9	84%	0.842	80%	0.797	S	S	*	*			trans	33.7	133.2	150.7	-73.6	-174	176.5	-177.7	1.3	118.4
3	L	38	Very low	40	Very low	129 Å²	129	176.4 Å²	176.4	68%	0.675	80%	0.801	S	S	*	*			cis	176.1	141.7	28.5	-107.7	162.2	0	0	0	107.3
4	T	40.5	Very low	40	Very low	109 Å²	109	169.2 Å²	169.2	67%	0.669	80%	0.8	S	S	*	*			trans	33.6	145.9	136.1	56.1	0	0	0	0	120.9
5	R	42.3	Very low	40.3	Very low	219 Å²	219	168.2 Å²	168.2	83%	0.826	80%	0.801	S	S	*	*			cis	-178.3	150.4	29.4	-128.6	169.1	177.3	-179.2	-1.5	108.4
6	Y	40.3	Very low	40.3	Very low	219 Å²	219	163.2 Å²	163.2	86%	0.859	79%	0.79	S	S	*	*			trans	22.4	142.2	134.9	-84.3	-97.2	0	0	0	119.9
7	S	42	Very low	40.7	Very low	86 Å²	86	164.5 Å²	164.5	60%	0.601	79%	0.791	S	S	*	*			cis	-175	160.3	25.3	60.9	0	0	0	0	112
8	K	43	Very low	41.2	Very low	186 Å²	186	164.3 Å²	164.3	81%	0.809	79%	0.794	S	S	*	*			trans	64.8	143.6	144.5	-80.4	-179.3	-176.8	-174.4	0	116.9
9	Q	38.6	Very low	41.9	Very low	150 Å²	150	161.2 Å²	161.2	70%	0.701	79%	0.787	S	S	*	*			cis	-172.3	150.6	-5.2	-147.8	-178.8	-23.2	0	0	104.6
10	L	37.6	Very low	42.7	Very low	139 Å²	139	157.9 Å²	157.9	73%	0.728	78%	0.778	S	S	*	*			trans	63.4	111.5	153.7	-75.5	147.5	0	0	0	120.4
11	E	41.1	Very low	43.3	Very low	190 Å²	190	156.2 Å²	156.2	89%	0.888	77%	0.772	S	S	*	*				-178.4	104.2	126	-99.3	170.7	-168.9	0	0	107.5
12	R	38.6	Very low	44.2	Very low	215 Å²	215	150.9 Å²	150.9	81%	0.811	75%	0.748	S	S	*	*				62.4	117.9	87.8	-114	-177.4	-172.7	-157.1	6.2	115.3
13	F	40.7	Very low	45.2	Very low	194 Å²	194	144 Å²	144	85%	0.851	73%	0.731	S	S	*	*			trans	89.9	126.6	154.9	-74.2	-80.6	0	0	0	121.4
14	G	40.2	Very low	46.2	Very low	76 Å²	76	143.3 Å²	143.3	78%	0.784	73%	0.727	S	S	*	*			trans	127.3	126.1	164.8	0	0	0	0	0	112
15	D	44.6	Very low	47.2	Very low	154 Å²	154	142 Å²	142	82%	0.824	72%	0.716	S	S	*	*			cis	-164.8	152.7	-1.8	-158.4	-1.5	0	0	0	109.2
16	S	39.5	Very low	48.1	Very low	88 Å²	88	140.5 Å²	140.5	62%	0.615	71%	0.71	S	S	*	*			trans	-68.7	111.9	-175.9	150.1	0	0	0	0	112.7
17	K	47.1	Very low	49.2	Very low	186 Å²	186	135 Å²	135	81%	0.809	70%	0.695	S	S	*	*			trans	-156	90.7	156.9	-68.9	-167.9	-177.6	171.7	0	111.5
18	N	50.1	Low	50.2	Low	160 Å²	160	133.4 Å²	133.4	86%	0.856	68%	0.684	S	S	*	*	S	Bend	trans	-175.9	20.7	153.6	-96.5	-15.8	0	0	0	115.7	P20	N18-P20 VanDerWaalsContact C-CD 3.49Å
19	T	54.1	Low	50.9	Low	106 Å²	106	132 Å²	132	65%	0.65	67%	0.674	S	S	*	*			trans	-108.3	18.5	-165.9	10.3	0	0	0	0	119.5	T23	T19-T23 PolarHBondContact O-OG1 3.44Å; T19-T23 VanDerWaalsContact O-OG1 3.11Å
20	P	57.4	Low	52.1	Low	94 Å²	94	129.3 Å²	129.3	61%	0.61	66%	0.663	S	S	*	*	S	Bend	trans	-97.1	-24.6	175.5	34.4	-30.6	0	0	0	115.3	N18 L24	N18-P20 VanDerWaalsContact C-CD 3.49Å; P20-L24 WeakPolarHBondContact O-CD1 3.49Å; P20-L24 PolarHBondContact O-N 3.4Å
21	L	56.6	Low	53.1	Low	123 Å²	123	127.6 Å²	127.6	64%	0.644	65%	0.652	S	S	*	*	H	α-helix	trans	-79.4	-40.1	-169.5	-153.7	77.4	0	0	0	113.5	T23 L24 L25	L21-T23 VanDerWaalsContact C-N 3.31Å; L21-T23 PolarHBondContact O-N 2.95Å; L21-L24 PolarHBondContact O-N 3.11Å; L21-L25 HydrophobicContact CG-CD1 4.34Å; L21-L25 PolarHBondContact O-N 2.91Å
22	N	57.8	Low	54	Low	123 Å²	123	122.4 Å²	122.4	66%	0.658	63%	0.63	S	S	*	*	H	α-helix	trans	-69.7	-28	179.9	-87.8	-17.7	0	0	0	113.1	R26	N22-R26 WeakPolarHBondContact O-CB 3.5Å; N22-R26 WeakPolarHBondContact O-CG 3.43Å; N22-R26 PolarHBondContact O-N 3.03Å
23	T	59.8	Low	54.8	Low	79 Å²	79	117 Å²	117	49%	0.485	62%	0.617	S	S	.	*	H	α-helix	trans	-75.6	-40.9	177.9	-21.3	0	0	0	0	110.7	T19 L21 R26 L27	T19-T23 PolarHBondContact O-OG1 3.44Å; T19-T23 VanDerWaalsContact O-OG1 3.11Å; L21-T23 VanDerWaalsContact C-N 3.31Å; L21-T23 PolarHBondContact O-N 2.95Å; T23-R26 PolarHBondContact O-N 3.42Å; T23-L27 WeakPolarHBondContact O-CB 3.34Å; T23-L27 WeakPolarHBondContact O-CD1 3.45Å; T23-L27 VanDerWaalsContact O-CG 3.29Å; T23-L27 WeakPolarHBondContact O-CG 3.48Å; T23-L27 PolarHBondContact O-N 3.01Å
24	L	59	Low	55.4	Low	113 Å²	113	111.5 Å²	111.5	59%	0.592	60%	0.596	S	S	*	*	H	α-helix	trans	-64.7	-41	173.3	-79.9	163.3	0	0	0	112.2	P20 L21 L27 S28	P20-L24 WeakPolarHBondContact O-CD1 3.49Å; P20-L24 PolarHBondContact O-N 3.4Å; L21-L24 PolarHBondContact O-N 3.11Å; L24-L27 PolarHBondContact O-N 2.95Å; L24-S28 PolarHBondContact O-N 3.38Å; L24-S28 PolarHBondContact O-OG 3.42Å
25	L	61.7	Low	56	Low	82 Å²	82	112.2 Å²	112.2	43%	0.429	58%	0.581	S	S	.	*	H	α-helix	trans	-63.6	-43.7	173.3	-89.5	149.6	0	0	0	112.1	L21 L27 S28 W29	L21-L25 HydrophobicContact CG-CD1 4.34Å; L21-L25 PolarHBondContact O-N 2.91Å; L25-L27 PolarHBondContact O-N 3.42Å; L25-S28 WeakPolarHBondContact CA-OG 3.29Å; L25-S28 PolarHBondContact O-N 2.86Å; L25-S28 PolarHBondContact O-OG 3.35Å; L25-W29 PolarHBondContact O-N 3.34Å
26	R	60.4	Low	56.2	Low	187 Å²	187	112.5 Å²	112.5	71%	0.706	58%	0.575	S	S	*	*	H	α-helix	trans	-64.9	-38.4	176.1	-78.8	-177.8	178.1	-164	0.1	112.5	N22 T23 W29 I30	N22-R26 WeakPolarHBondContact O-CB 3.5Å; N22-R26 WeakPolarHBondContact O-CG 3.43Å; N22-R26 PolarHBondContact O-N 3.03Å; T23-R26 PolarHBondContact O-N 3.42Å; R26-W29 PolarHBondContact O-N 2.78Å; R26-I30 WeakPolarHBondContact O-CB 3.42Å; R26-I30 WeakPolarHBondContact O-CD1 3.46Å; R26-I30 WeakPolarHBondContact O-CG1 3.29Å; R26-I30 PolarHBondContact O-N 2.86Å
27	L	64.1	Low	56.6	Low	103 Å²	103	113.2 Å²	113.2	54%	0.539	58%	0.575	S	S	.	*	H	α-helix	trans	-67	-38.6	175.9	-74.9	164.9	0	0	0	112	T23 L24 L25 I30 M31	T23-L27 WeakPolarHBondContact O-CB 3.34Å; T23-L27 WeakPolarHBondContact O-CD1 3.45Å; T23-L27 VanDerWaalsContact O-CG 3.29Å; T23-L27 WeakPolarHBondContact O-CG 3.48Å; T23-L27 PolarHBondContact O-N 3.01Å; L24-L27 PolarHBondContact O-N 2.95Å; L25-L27 PolarHBondContact O-N 3.42Å; L27-I30 PolarHBondContact O-N 3.43Å; L27-M31 WeakPolarHBondContact O-CB 3.45Å; L27-M31 PolarHBondContact O-N 2.93Å
28	S	61.9	Low	56.5	Low	53 Å²	53	112.1 Å²	112.1	37%	0.371	57%	0.571	S	S	.	*	H	α-helix	trans	-69.6	-36.9	175	52.2	0	0	0	0	112.4	L24 L25 M31 I32	L24-S28 PolarHBondContact O-N 3.38Å; L24-S28 PolarHBondContact O-OG 3.42Å; L25-S28 WeakPolarHBondContact CA-OG 3.29Å; L25-S28 PolarHBondContact O-N 2.86Å; L25-S28 PolarHBondContact O-OG 3.35Å; S28-M31 PolarHBondContact O-N 3.37Å; S28-I32 WeakPolarHBondContact O-CB 2.72Å; S28-I32 WeakPolarHBondContact O-CD1 3.43Å; S28-I32 WeakPolarHBondContact O-CG1 3.47Å; S28-I32 PolarHBondContact O-N 3.02Å
29	W	58.4	Low	56.2	Low	158 Å²	158	112.1 Å²	112.1	60%	0.598	56%	0.56	S	S	*	*	H	α-helix	trans	-63.5	-42.1	170.6	-81.4	108.2	0	0	0	112.7	L25 R26 I32 L33	L25-W29 PolarHBondContact O-N 3.34Å; R26-W29 PolarHBondContact O-N 2.78Å; W29-I32 PolarHBondContact O-N 3.3Å; W29-L33 WeakPolarHBondContact O-CB 3.46Å; W29-L33 PolarHBondContact O-N 3.36Å
30	I	63.3	Low	55.5	Low	93 Å²	93	111.9 Å²	111.9	48%	0.477	56%	0.563	S	S	.	*	H	α-helix	trans	-64.7	-40.1	175	-69.6	164.4	0	0	0	110.4	R26 L27 L33 L34	R26-I30 WeakPolarHBondContact O-CB 3.42Å; R26-I30 WeakPolarHBondContact O-CD1 3.46Å; R26-I30 WeakPolarHBondContact O-CG1 3.29Å; R26-I30 PolarHBondContact O-N 2.86Å; L27-I30 PolarHBondContact O-N 3.43Å; I30-L33 PolarHBondContact O-N 2.76Å; I30-L34 HydrophobicContact CG2-CD1 3.56Å; I30-L34 HydrophobicContact CG2-CG 4.17Å; I30-L34 VanDerWaalsContact O-CB 3.23Å; I30-L34 WeakPolarHBondContact O-CB 3.36Å; I30-L34 WeakPolarHBondContact O-CD1 3.36Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 3.4Å
31	M	58.3	Low	54.8	Low	102 Å²	102	111.1 Å²	111.1	50%	0.502	55%	0.551	S	S	.	*	H	α-helix	trans	-64.5	-41.6	173.6	-101.8	-103.9	57.5	0	0	112.6	L27 S28 L34 L35	L27-M31 WeakPolarHBondContact O-CB 3.45Å; L27-M31 PolarHBondContact O-N 2.93Å; S28-M31 PolarHBondContact O-N 3.37Å; M31-L34 PolarHBondContact O-N 3.49Å; M31-L35 HydrophobicContact CE-CD1 3.59Å; M31-L35 HydrophobicContact CE-CG 3.7Å; M31-L35 VanDerWaalsContact O-CB 3.29Å; M31-L35 WeakPolarHBondContact O-CB 3.32Å; M31-L35 WeakPolarHBondContact O-CD1 3.5Å; M31-L35 WeakPolarHBondContact O-CG 3.4Å; M31-L35 PolarHBondContact O-N 3.44Å
32	I	59.9	Low	54.6	Low	81 Å²	81	109.8 Å²	109.8	42%	0.415	56%	0.558	S	S	.	*	H	α-helix	trans	-67.7	-38.5	176.9	-68.6	163.1	0	0	0	111	S28 W29 K36	S28-I32 WeakPolarHBondContact O-CB 2.72Å; S28-I32 WeakPolarHBondContact O-CD1 3.43Å; S28-I32 WeakPolarHBondContact O-CG1 3.47Å; S28-I32 PolarHBondContact O-N 3.02Å; W29-I32 PolarHBondContact O-N 3.3Å; I32-K36 WeakPolarHBondContact O-CG 3.21Å; I32-K36 PolarHBondContact O-N 2.62Å
33	L	56.2	Low	55.3	Low	103 Å²	103	110.5 Å²	110.5	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-69.3	-41.3	174.2	-84.2	156.7	0	0	0	111.6	W29 I30 K36 V37	W29-L33 WeakPolarHBondContact O-CB 3.46Å; W29-L33 PolarHBondContact O-N 3.36Å; I30-L33 PolarHBondContact O-N 2.76Å; L33-K36 PolarHBondContact O-N 2.9Å; L33-V37 WeakPolarHBondContact O-CB 3.35Å; L33-V37 WeakPolarHBondContact O-CG2 3.21Å; L33-V37 PolarHBondContact O-N 2.93Å
34	L	54	Low	56.5	Low	78 Å²	78	108.1 Å²	108.1	41%	0.408	54%	0.542	S	S	.	.	H	α-helix	trans	-66.2	-40	174.3	-73.1	166.9	0	0	0	111.1	I30 M31 K36 V37 F38	I30-L34 HydrophobicContact CG2-CD1 3.56Å; I30-L34 HydrophobicContact CG2-CG 4.17Å; I30-L34 VanDerWaalsContact O-CB 3.23Å; I30-L34 WeakPolarHBondContact O-CB 3.36Å; I30-L34 WeakPolarHBondContact O-CD1 3.36Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 3.4Å; M31-L34 PolarHBondContact O-N 3.49Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 3.23Å; L34-V37 CarbonylContact O-C 3.53Å; L34-V37 PolarHBondContact O-N 2.95Å; L34-V37 VanDerWaalsContact O-N 3.13Å; L34-F38 HydrophobicContact CB-CD2 4.33Å; L34-F38 HydrophobicContact CD2-CD2 4.49Å; L34-F38 HydrophobicContact CD2-CE2 4.01Å; L34-F38 WeakPolarHBondContact O-CB 3.41Å; L34-F38 WeakPolarHBondContact O-CD2 3.21Å; L34-F38 PolarHBondContact O-N 3.4Å
35	L	51.4	Low	58.1	Low	90 Å²	90	104.4 Å²	104.4	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-39.4	171.8	-87.1	155.2	0	0	0	111.6	M31 Y39	M31-L35 HydrophobicContact CE-CD1 3.59Å; M31-L35 HydrophobicContact CE-CG 3.7Å; M31-L35 VanDerWaalsContact O-CB 3.29Å; M31-L35 WeakPolarHBondContact O-CB 3.32Å; M31-L35 WeakPolarHBondContact O-CD1 3.5Å; M31-L35 WeakPolarHBondContact O-CG 3.4Å; M31-L35 PolarHBondContact O-N 3.44Å; L35-Y39 WeakPolarHBondContact O-CB 3.23Å; L35-Y39 WeakPolarHBondContact O-CD2 3.15Å; L35-Y39 PolarHBondContact O-N 3.05Å
36	K	49.4	Very low	59.7	Low	161 Å²	161	100.7 Å²	100.7	70%	0.7	50%	0.502	S	S	*	.	H	α-helix	trans	-71.1	-28.8	173.7	-77.4	-175.4	175.9	-174.9	0	113.8	I32 L33 L34	I32-K36 WeakPolarHBondContact O-CG 3.21Å; I32-K36 PolarHBondContact O-N 2.62Å; L33-K36 PolarHBondContact O-N 2.9Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 3.23Å
37	V	48.5	Very low	61.4	Low	103 Å²	103	94.1 Å²	94.1	62%	0.624	48%	0.483	S	S	*	.	H	α-helix	trans	-83	-27	178.2	171.5	0	0	0	0	111.8	L33 L34	L33-V37 WeakPolarHBondContact O-CB 3.35Å; L33-V37 WeakPolarHBondContact O-CG2 3.21Å; L33-V37 PolarHBondContact O-N 2.93Å; L34-V37 CarbonylContact O-C 3.53Å; L34-V37 PolarHBondContact O-N 2.95Å; L34-V37 VanDerWaalsContact O-N 3.13Å
38	F	44.4	Very low	63	Low	162 Å²	162	89.5 Å²	89.5	71%	0.711	46%	0.458	S	S	*	.	H	α-helix	trans	-91.1	-8.5	173.7	-76.5	-73.1	0	0	0	114.1	L34 S40	L34-F38 HydrophobicContact CB-CD2 4.33Å; L34-F38 HydrophobicContact CD2-CD2 4.49Å; L34-F38 HydrophobicContact CD2-CE2 4.01Å; L34-F38 WeakPolarHBondContact O-CB 3.41Å; L34-F38 WeakPolarHBondContact O-CD2 3.21Å; L34-F38 PolarHBondContact O-N 3.4Å; F38-S40 PolarHBondContact O-N 3.15Å
39	Y	43	Very low	64.5	Low	160 Å²	160	89.5 Å²	89.5	63%	0.627	45%	0.454	S	S	*	.			trans	-79.8	28.3	165.6	-106.5	-81	0	0	0	113.6	L35 E41	L35-Y39 WeakPolarHBondContact O-CB 3.23Å; L35-Y39 WeakPolarHBondContact O-CD2 3.15Å; L35-Y39 PolarHBondContact O-N 3.05Å; Y39-E41 HydrophobicContact CD1-CG 4.04Å; Y39-E41 HydrophobicContact CE1-CG 4.11Å; Y39-E41 VanDerWaalsContact CE1-OE1 3.29Å; Y39-E41 WeakPolarHBondContact CE1-OE1 3.08Å; Y39-E41 PolarHBondContact O-N 2.91Å
40	S	40.2	Very low	65.7	Low	102 Å²	102	86 Å²	86	71%	0.713	45%	0.448	S	S	*	.			trans	-74.6	65	146.1	174.8	0	0	0	0	107.4	F38 A42	F38-S40 PolarHBondContact O-N 3.15Å; S40-A42 PolarHBondContact O-N 3.17Å
41	E	43.3	Very low	66.8	Low	78 Å²	78	89.1 Å²	89.1	36%	0.364	47%	0.465	S	S	.	.			trans	-50.1	120.8	159	-86.6	178.4	175.2	0	0	105.1	Y39 R43 N59	Y39-E41 HydrophobicContact CD1-CG 4.04Å; Y39-E41 HydrophobicContact CE1-CG 4.11Å; Y39-E41 VanDerWaalsContact CE1-OE1 3.29Å; Y39-E41 WeakPolarHBondContact CE1-OE1 3.08Å; Y39-E41 PolarHBondContact O-N 2.91Å; E41-R43 PolarHBondContact O-N 3.23Å; E41-N59 PolarHBondContact OE2-ND2 3.18Å
42	A	52.4	Low	68.3	Low	94 Å²	94	87.9 Å²	87.9	78%	0.777	46%	0.463	S	S	*	.			trans	-54.7	97.9	164.9	0	0	0	0	0	105.1	S40 G44	S40-A42 PolarHBondContact O-N 3.17Å; A42-G44 PolarHBondContact O-N 2.78Å
43	R	71.6	Confident	69.8	Low	138 Å²	138	85.3 Å²	85.3	52%	0.521	46%	0.457	S	S	.	.			trans	-59.8	108.2	-175.6	-74.7	-178.8	-180	168.6	-0.4	105.6	E41 Y228	E41-R43 PolarHBondContact O-N 3.23Å; R43-Y228 HydrophobicContact CB-CD2 3.9Å; R43-Y228 HydrophobicContact CB-CG 4.22Å; R43-Y228 HydrophobicContact CG-CD2 4.49Å; R43-Y228 PolarHBondContact NH1-OH 3.08Å
44	G	84.4	Confident	71.6	Confident	29 Å²	29	86 Å²	86	30%	0.299	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-61.5	158.5	176.5	0	0	0	0	0	109.4	A42	A42-G44 PolarHBondContact O-N 2.78Å
45	K	93.6	Very high	73.6	Confident	36 Å²	36	84.5 Å²	84.5	16%	0.157	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-60.1	147.6	171.5	-68.5	-74	-173.4	160.8	0	109.4	G225 K227 V230 D277 T278	K45-G225 WeakPolarHBondContact CE-O 3.26Å; K45-G225 PolarHBondContact NZ-O 3.5Å; K45-K227 PolarHBondContact NZ-O 3.44Å; K45-V230 PolarHBondContact NZ-O 3.01Å; K45-D277 HydrophobicContact CB-CB 4.22Å; K45-D277 HydrophobicContact CG-CB 4Å; K45-T278 VanDerWaalsContact CE-OG1 3.3Å; K45-T278 WeakPolarHBondContact CE-OG1 3.38Å; K45-T278 PolarHBondContact NZ-OG1 2.73Å
46	V	96.3	Very high	75.8	Confident	4 Å²	4	81 Å²	81	2%	0.024	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-67.1	138.6	169.1	174.4	0	0	0	0	108.2	F55 V56 F65 Y136 L231 L279	V46-F55 HydrophobicContact CG1-CB 3.86Å; V46-F55 HydrophobicContact CG1-CD1 4.01Å; V46-F55 HydrophobicContact CG1-CG 4.43Å; V46-V56 WeakPolarHBondContact CA-O 3.4Å; V46-V56 WeakPolarHBondContact CG1-O 3.33Å; V46-F65 HydrophobicContact CG1-CE2 4.29Å; V46-F65 HydrophobicContact CG1-CZ 4.28Å; V46-F65 HydrophobicContact CG2-CZ 4.25Å; V46-Y136 HydrophobicContact CG2-CE1 3.78Å; V46-L231 HydrophobicContact CB-CD1 3.72Å; V46-L231 HydrophobicContact CG1-CD1 3.84Å; V46-L231 HydrophobicContact CG2-CD1 4.04Å; V46-L279 HydrophobicContact CG1-CD1 4.26Å; V46-L279 WeakPolarHBondContact O-CD2 3.44Å
47	T	96.1	Very high	77.9	Confident	49 Å²	49	74.2 Å²	74.2	30%	0.301	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	173.2	176.6	58.4	0	0	0	0	109.9	F55 V56	T47-F55 CarbonylContact O-C 3.55Å; T47-F55 WeakPolarHBondContact O-CA 3.42Å; T47-V56 PolarHBondContact N-O 3.03Å; T47-V56 PolarHBondContact O-N 2.84Å; T47-V56 WeakPolarHBondContact OG1-CG2 3.29Å
48	I	96.4	Very high	79.8	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.026	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.5	171.4	-52.4	-55.8	0	0	0	109	Y54 F55 L279 K316 V319	I48-Y54 WeakPolarHBondContact CA-O 3.47Å; I48-F55 HydrophobicContact CD1-CD1 3.39Å; I48-F55 HydrophobicContact CD1-CE1 3.65Å; I48-F55 HydrophobicContact CD1-CG 3.98Å; I48-F55 HydrophobicContact CD1-CZ 4.4Å; I48-L279 HydrophobicContact CD1-CD1 4.26Å; I48-L279 HydrophobicContact CD1-CD2 4.42Å; I48-L279 HydrophobicContact CG1-CD2 4.14Å; I48-K316 PolarHBondContact N-O 3.12Å; I48-V319 HydrophobicContact CD1-CG2 3.95Å; I48-V319 HydrophobicContact CG1-CG2 4.27Å
49	D	92.9	Very high	82	Confident	53 Å²	53	68.9 Å²	68.9	28%	0.283	38%	0.378	S	S	.	.			trans	-73.3	120.1	170.4	178.9	-98.7	0	0	0	109.8	D51 T52 G53 Y54 V56	D49-D51 VanDerWaalsContact C-N 3.28Å; D49-D51 PolarHBondContact O-N 3.24Å; D49-D51 PolarHBondContact OD1-N 3.01Å; D49-T52 WeakPolarHBondContact CB-OG1 3.44Å; D49-T52 PolarHBondContact O-N 3.05Å; D49-T52 WeakPolarHBondContact OD1-CB 3.19Å; D49-T52 WeakPolarHBondContact OD1-CG2 3.47Å; D49-T52 PolarHBondContact OD1-N 2.87Å; D49-T52 PolarHBondContact OD1-OG1 3.41Å; D49-G53 VanDerWaalsContact O-CA 3.31Å; D49-G53 WeakPolarHBondContact O-CA 3.4Å; D49-G53 PolarHBondContact O-N 3.13Å; D49-Y54 PolarHBondContact N-O 3.46Å; D49-V56 HydrophobicContact CB-CG1 4.02Å; D49-V56 HydrophobicContact CB-CG2 4.39Å
50	D	85	Confident	84.2	Confident	86 Å²	86	63.7 Å²	63.7	46%	0.46	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.8	-173	-87	-12.6	0	0	0	113.5	K316	D50-K316 WeakPolarHBondContact OD1-CG 3.34Å; D50-K316 WeakPolarHBondContact OD2-CE 3.26Å; D50-K316 IonicContact OD2-NZ 3.4Å
51	D	85.9	Confident	86.8	Confident	158 Å²	158	65.2 Å²	65.2	85%	0.845	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-37.1	-175.6	-69.2	-28.8	0	0	0	111.3	D49	D49-D51 VanDerWaalsContact C-N 3.28Å; D49-D51 PolarHBondContact O-N 3.24Å; D49-D51 PolarHBondContact OD1-N 3.01Å
52	T	89.1	Confident	89.4	Confident	75 Å²	75	66 Å²	66	46%	0.46	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-22.4	-172.5	63.2	0	0	0	0	114.5	D49 Y54	D49-T52 WeakPolarHBondContact CB-OG1 3.44Å; D49-T52 PolarHBondContact O-N 3.05Å; D49-T52 WeakPolarHBondContact OD1-CB 3.19Å; D49-T52 WeakPolarHBondContact OD1-CG2 3.47Å; D49-T52 PolarHBondContact OD1-N 2.87Å; D49-T52 PolarHBondContact OD1-OG1 3.41Å; T52-Y54 HydrophobicContact CG2-CD2 4.05Å; T52-Y54 HydrophobicContact CG2-CE2 4.22Å; T52-Y54 PolarHBondContact O-N 2.87Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.31Å; T52-Y54 PolarHBondContact OG1-N 2.9Å
53	G	91.2	Very high	91.5	Very high	27 Å²	27	64.5 Å²	64.5	28%	0.278	35%	0.348	S	S	.	.			trans	71.6	14.1	-170.4	0	0	0	0	0	113.6	D49	D49-G53 VanDerWaalsContact O-CA 3.31Å; D49-G53 WeakPolarHBondContact O-CA 3.4Å; D49-G53 PolarHBondContact O-N 3.13Å
54	Y	94.6	Very high	92.7	Very high	118 Å²	118	63.5 Å²	63.5	46%	0.463	35%	0.353	S	S	.	.			trans	-84.4	145.7	178.8	-66.2	-44.1	0	0	0	112	I48 D49 T52 V56 I62	I48-Y54 WeakPolarHBondContact CA-O 3.47Å; D49-Y54 PolarHBondContact N-O 3.46Å; T52-Y54 HydrophobicContact CG2-CD2 4.05Å; T52-Y54 HydrophobicContact CG2-CE2 4.22Å; T52-Y54 PolarHBondContact O-N 2.87Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.31Å; T52-Y54 PolarHBondContact OG1-N 2.9Å; Y54-V56 PolarHBondContact O-N 2.79Å; Y54-I62 HydrophobicContact CD2-CD1 3.65Å; Y54-I62 HydrophobicContact CD2-CG1 4.23Å; Y54-I62 HydrophobicContact CE2-CD1 4.18Å; Y54-I62 HydrophobicContact CG-CD1 4.29Å; Y54-I62 HydrophobicContact CG-CG1 4.48Å; Y54-I62 HydrophobicContact CG-CG2 4.3Å
55	F	97.1	Very high	93.3	Very high	46 Å²	46	64 Å²	64	20%	0.202	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.4	164.9	-60.4	-86.6	0	0	0	109.9	V46 T47 I48 I62 K63 F65 L279 F281 V319	V46-F55 HydrophobicContact CG1-CB 3.86Å; V46-F55 HydrophobicContact CG1-CD1 4.01Å; V46-F55 HydrophobicContact CG1-CG 4.43Å; T47-F55 CarbonylContact O-C 3.55Å; T47-F55 WeakPolarHBondContact O-CA 3.42Å; I48-F55 HydrophobicContact CD1-CD1 3.39Å; I48-F55 HydrophobicContact CD1-CE1 3.65Å; I48-F55 HydrophobicContact CD1-CG 3.98Å; I48-F55 HydrophobicContact CD1-CZ 4.4Å; F55-I62 CarbonylContact O-C 3.46Å; F55-I62 VanDerWaalsContact O-CA 3.3Å; F55-I62 WeakPolarHBondContact O-CA 3.43Å; F55-K63 HydrophobicContact CB-CB 4.15Å; F55-K63 PolarHBondContact O-N 3.45Å; F55-F65 HydrophobicContact CB-CD2 4.3Å; F55-F65 HydrophobicContact CB-CE2 3.69Å; F55-F65 HydrophobicContact CD1-CD2 4.2Å; F55-F65 AromaticContact CD1-CE2 3.73Å; F55-F65 HydrophobicContact CD1-CE2 3.73Å; F55-F65 AromaticContact CD2-CD2 3.86Å; F55-F65 HydrophobicContact CD2-CD2 3.86Å; F55-F65 HydrophobicContact CD2-CE2 4.05Å; F55-F65 HydrophobicContact CE1-CD2 4.47Å; F55-F65 HydrophobicContact CE1-CE2 4.32Å; F55-F65 HydrophobicContact CE2-CD2 4.19Å; F55-F65 AromaticContact CG-CD2 3.88Å; F55-F65 HydrophobicContact CG-CD2 3.88Å; F55-F65 AromaticContact CG-CE2 3.56Å; F55-F65 HydrophobicContact CG-CE2 3.56Å; F55-F65 HydrophobicContact CZ-CD2 4.48Å; F55-L279 HydrophobicContact CD1-CD1 3.74Å; F55-L279 HydrophobicContact CE1-CD1 3.69Å; F55-F281 HydrophobicContact CE1-CZ 4Å; F55-F281 HydrophobicContact CZ-CE1 4.42Å; F55-F281 HydrophobicContact CZ-CZ 4.21Å; F55-V319 HydrophobicContact CE1-CG1 4.28Å; F55-V319 HydrophobicContact CE1-CG2 3.7Å; F55-V319 HydrophobicContact CZ-CG1 3.8Å; F55-V319 HydrophobicContact CZ-CG2 4.08Å
56	V	96.1	Very high	93.5	Very high	17 Å²	17	68.5 Å²	68.5	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.5	177.3	-65	0	0	0	0	111	V46 T47 D49 Y54 F61 I62	V46-V56 WeakPolarHBondContact CA-O 3.4Å; V46-V56 WeakPolarHBondContact CG1-O 3.33Å; T47-V56 PolarHBondContact N-O 3.03Å; T47-V56 PolarHBondContact O-N 2.84Å; T47-V56 WeakPolarHBondContact OG1-CG2 3.29Å; D49-V56 HydrophobicContact CB-CG1 4.02Å; D49-V56 HydrophobicContact CB-CG2 4.39Å; Y54-V56 PolarHBondContact O-N 2.79Å; V56-F61 WeakPolarHBondContact CA-O 3.48Å; V56-I62 HydrophobicContact CG1-CG1 4.37Å
57	D	93	Very high	93.6	Very high	19 Å²	19	70.2 Å²	70.2	10%	0.102	39%	0.387	C	S	.	.			trans	-79.4	178.1	169.2	67.5	20	0	0	0	112.9	N59 G60 F61 K63	D57-N59 PolarHBondContact O-N 3.06Å; D57-N59 WeakPolarHBondContact OD1-CA 3.42Å; D57-N59 WeakPolarHBondContact OD1-CB 2.93Å; D57-N59 PolarHBondContact OD1-N 2.7Å; D57-G60 PolarHBondContact O-N 3.02Å; D57-G60 PolarHBondContact OD1-N 2.88Å; D57-F61 PolarHBondContact N-O 2.99Å; D57-F61 PolarHBondContact OD1-N 3.25Å; D57-K63 VanDerWaalsContact CB-CE 3.47Å; D57-K63 HydrophobicContact CB-CG 4.4Å; D57-K63 WeakPolarHBondContact OD2-CE 3.41Å; D57-K63 IonicContact OD2-NZ 3.18Å; D57-K63 PolarHBondContact OD2-NZ 2.94Å
58	S	89.1	Confident	93.7	Very high	67 Å²	67	71 Å²	71	47%	0.469	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.6	177.8	52.3	0	0	0	0	114.9
59	N	90.5	Very high	93.8	Very high	85 Å²	85	75.3 Å²	75.3	46%	0.455	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	0.9	178.3	-67.7	-35.4	0	0	0	111.9	E41 D57 F61	E41-N59 PolarHBondContact OE2-ND2 3.18Å; D57-N59 PolarHBondContact O-N 3.06Å; D57-N59 WeakPolarHBondContact OD1-CA 3.42Å; D57-N59 WeakPolarHBondContact OD1-CB 2.93Å; D57-N59 PolarHBondContact OD1-N 2.7Å; N59-F61 VanDerWaalsContact C-N 3.33Å; N59-F61 HydrophobicContact CB-CD2 3.67Å; N59-F61 HydrophobicContact CB-CE2 3.78Å
60	G	90.5	Very high	94	Very high	51 Å²	51	73.2 Å²	73.2	53%	0.526	40%	0.401	S	S	.	.			trans	81.1	9	-178.2	0	0	0	0	0	113.9	D57	D57-G60 PolarHBondContact O-N 3.02Å; D57-G60 PolarHBondContact OD1-N 2.88Å
61	F	94.7	Very high	94.5	Very high	134 Å²	134	70.8 Å²	70.8	59%	0.588	39%	0.389	S	S	*	.			trans	-78.8	132	176.7	-65.3	-63.5	0	0	0	110.9	V56 D57 N59 K63	V56-F61 WeakPolarHBondContact CA-O 3.48Å; D57-F61 PolarHBondContact N-O 2.99Å; D57-F61 PolarHBondContact OD1-N 3.25Å; N59-F61 VanDerWaalsContact C-N 3.33Å; N59-F61 HydrophobicContact CB-CD2 3.67Å; N59-F61 HydrophobicContact CB-CE2 3.78Å; F61-K63 PolarHBondContact O-N 3.27Å
62	I	96.8	Very high	95	Very high	95 Å²	95	66.7 Å²	66.7	49%	0.487	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-60.4	130.7	172.4	-63.3	169.5	0	0	0	109.9	Y54 F55 V56 L64	Y54-I62 HydrophobicContact CD2-CD1 3.65Å; Y54-I62 HydrophobicContact CD2-CG1 4.23Å; Y54-I62 HydrophobicContact CE2-CD1 4.18Å; Y54-I62 HydrophobicContact CG-CD1 4.29Å; Y54-I62 HydrophobicContact CG-CG1 4.48Å; Y54-I62 HydrophobicContact CG-CG2 4.3Å; F55-I62 CarbonylContact O-C 3.46Å; F55-I62 VanDerWaalsContact O-CA 3.3Å; F55-I62 WeakPolarHBondContact O-CA 3.43Å; V56-I62 HydrophobicContact CG1-CG1 4.37Å; I62-L64 HydrophobicContact CG2-CD2 4.28Å
63	K	96.2	Very high	95.2	Very high	62 Å²	62	66 Å²	66	27%	0.27	36%	0.356	S	S	.	.			trans	-105.9	122.4	172.7	-64	-61.9	-178.6	-162	0	110.1	F55 D57 F61 F65	F55-K63 HydrophobicContact CB-CB 4.15Å; F55-K63 PolarHBondContact O-N 3.45Å; D57-K63 VanDerWaalsContact CB-CE 3.47Å; D57-K63 HydrophobicContact CB-CG 4.4Å; D57-K63 WeakPolarHBondContact OD2-CE 3.41Å; D57-K63 IonicContact OD2-NZ 3.18Å; D57-K63 PolarHBondContact OD2-NZ 2.94Å; F61-K63 PolarHBondContact O-N 3.27Å; K63-F65 HydrophobicContact CB-CE1 4.3Å; K63-F65 HydrophobicContact CB-CE2 3.83Å; K63-F65 HydrophobicContact CB-CZ 3.7Å; K63-F65 HydrophobicContact CG-CZ 4.31Å
64	L	97	Very high	95.2	Very high	118 Å²	118	68.6 Å²	68.6	62%	0.618	37%	0.366	S	S	*	.			trans	-100.4	123.4	168.1	-61.3	179.5	0	0	0	108.5	I62 N97	I62-L64 HydrophobicContact CG2-CD2 4.28Å; L64-N97 PolarHBondContact O-ND2 3.36Å
65	F	97.9	Very high	95.1	Very high	39 Å²	39	68.4 Å²	68.4	17%	0.171	38%	0.377	C	S	.	.			trans	-102.5	117.9	-176.4	-67.5	-67.9	0	0	0	111.2	V46 F55 K63 N97 V98 Y136 L231	V46-F65 HydrophobicContact CG1-CE2 4.29Å; V46-F65 HydrophobicContact CG1-CZ 4.28Å; V46-F65 HydrophobicContact CG2-CZ 4.25Å; F55-F65 HydrophobicContact CB-CD2 4.3Å; F55-F65 HydrophobicContact CB-CE2 3.69Å; F55-F65 HydrophobicContact CD1-CD2 4.2Å; F55-F65 AromaticContact CD1-CE2 3.73Å; F55-F65 HydrophobicContact CD1-CE2 3.73Å; F55-F65 AromaticContact CD2-CD2 3.86Å; F55-F65 HydrophobicContact CD2-CD2 3.86Å; F55-F65 HydrophobicContact CD2-CE2 4.05Å; F55-F65 HydrophobicContact CE1-CD2 4.47Å; F55-F65 HydrophobicContact CE1-CE2 4.32Å; F55-F65 HydrophobicContact CE2-CD2 4.19Å; F55-F65 AromaticContact CG-CD2 3.88Å; F55-F65 HydrophobicContact CG-CD2 3.88Å; F55-F65 AromaticContact CG-CE2 3.56Å; F55-F65 HydrophobicContact CG-CE2 3.56Å; F55-F65 HydrophobicContact CZ-CD2 4.48Å; K63-F65 HydrophobicContact CB-CE1 4.3Å; K63-F65 HydrophobicContact CB-CE2 3.83Å; K63-F65 HydrophobicContact CB-CZ 3.7Å; K63-F65 HydrophobicContact CG-CZ 4.31Å; F65-N97 VanDerWaalsContact CA-OD1 3.29Å; F65-N97 WeakPolarHBondContact CA-OD1 3.19Å; F65-V98 HydrophobicContact CB-CB 4.22Å; F65-V98 HydrophobicContact CB-CG1 3.82Å; F65-V98 HydrophobicContact CD1-CB 4.01Å; F65-V98 HydrophobicContact CG-CB 4.45Å; F65-Y136 HydrophobicContact CE1-CD1 4.49Å; F65-Y136 AromaticContact CE1-CD2 3.68Å; F65-Y136 HydrophobicContact CE1-CD2 3.68Å; F65-Y136 HydrophobicContact CE1-CE2 4.11Å; F65-Y136 AromaticContact CE1-CG 3.89Å; F65-Y136 HydrophobicContact CE1-CG 3.89Å; F65-L231 HydrophobicContact CD1-CD2 4.15Å; F65-L231 HydrophobicContact CD2-CD2 3.91Å; F65-L231 HydrophobicContact CE1-CD1 4.34Å; F65-L231 HydrophobicContact CE1-CD2 4.01Å; F65-L231 HydrophobicContact CE2-CD1 3.75Å; F65-L231 HydrophobicContact CE2-CD2 3.75Å; F65-L231 HydrophobicContact CE2-CG 4.43Å; F65-L231 HydrophobicContact CG-CD2 4.1Å; F65-L231 HydrophobicContact CZ-CD1 3.55Å; F65-L231 HydrophobicContact CZ-CD2 3.81Å; F65-L231 HydrophobicContact CZ-CG 4.34Å
66	H	98.2	Very high	95	Very high	130 Å²	130	68 Å²	68	60%	0.602	38%	0.379	S	S	*	.			trans	-121	125.2	173.5	-64.2	165.1	0	0	0	108.6	I96 N97	H66-I96 WeakPolarHBondContact O-CA 3.42Å; H66-N97 PolarHBondContact N-OD1 3.06Å; H66-N97 PolarHBondContact O-N 3.35Å; H66-N97 PolarHBondContact O-OD1 3.49Å; H66-N97 VanDerWaalsContact O-OD1 3.14Å
67	G	98	Very high	95	Very high	40 Å²	40	68 Å²	68	41%	0.412	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	-175.9	-162.7	0	0	0	0	0	115.6	V98	G67-V98 WeakPolarHBondContact CA-O 3.14Å
68	I	97.9	Very high	95.2	Very high	67 Å²	67	69.2 Å²	69.2	34%	0.344	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.7	177.3	58.9	173	0	0	0	110.5	L91 I96 V98 I99 R100	I68-L91 HydrophobicContact CD1-CD1 4.41Å; I68-L91 HydrophobicContact CD1-CD2 3.89Å; I68-I96 HydrophobicContact CG2-CD1 4.02Å; I68-V98 PolarHBondContact N-O 3.01Å; I68-I99 HydrophobicContact CG1-CG1 4.17Å; I68-I99 WeakPolarHBondContact O-CA 3.37Å; I68-R100 PolarHBondContact O-N 2.94Å
69	N	98.1	Very high	95.6	Very high	95 Å²	95	68.9 Å²	68.9	51%	0.508	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136	166.2	-77.5	-90.5	0	0	0	109.5	R100	N69-R100 WeakPolarHBondContact OD1-CD 3.41Å; N69-R100 PolarHBondContact OD1-NH1 3.33Å
70	C	97.7	Very high	95.9	Very high	9 Å²	9	71.2 Å²	71.2	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	74.4	173.8	-75	0	0	0	0	108.7	I79 L82 I99 R100 L101 G102	C70-I79 HydrophobicContact CB-CD1 3.86Å; C70-L82 HydrophobicContact CB-CD1 4.02Å; C70-I99 HydrophobicContact CB-CG2 3.51Å; C70-R100 PolarHBondContact N-O 2.99Å; C70-L101 HydrophobicContact CB-CD1 4.34Å; C70-G102 PolarHBondContact O-N 3.34Å
71	V	96.2	Very high	96.2	Very high	35 Å²	35	75.7 Å²	75.7	21%	0.212	39%	0.387	C	S	.	.			trans	-114.5	118.7	-179.8	-178.2	0	0	0	0	108.3	K73 H142	V71-K73 HydrophobicContact CG1-CG 3.84Å; V71-H142 HydrophobicContact CG1-CB 3.92Å
72	H	95.2	Very high	96.4	Very high	71 Å²	71	69.6 Å²	69.6	33%	0.329	36%	0.36	S	S	.	.			trans	-110.7	106.5	175.7	-160.1	60	0	0	0	109.2	V74 F77 I79	H72-V74 VanDerWaalsContact C-N 3.28Å; H72-V74 PolarHBondContact CD2-O 3.29Å; H72-V74 WeakPolarHBondContact NE2-CG2 3.17Å; H72-V74 PolarHBondContact O-N 3.03Å; H72-F77 WeakPolarHBondContact O-CA 3.3Å; H72-I79 HydrophobicContact CB-CG1 4.15Å
73	K	93.7	Very high	96.5	Very high	62 Å²	62	67.2 Å²	67.2	27%	0.27	35%	0.348	S	S	.	.			trans	-88.5	11.8	-168.7	-51.2	-179.2	-175	-170.9	0	114	V71 H142 D144 I153	V71-K73 HydrophobicContact CG1-CG 3.84Å; K73-H142 VanDerWaalsContact CE-CD2 3.43Å; K73-H142 WeakPolarHBondContact CE-CD2 3.28Å; K73-H142 WeakPolarHBondContact CE-NE2 3.13Å; K73-H142 PolarHBondContact NZ-NE2 3.16Å; K73-D144 VanDerWaalsContact CD-OD2 3.31Å; K73-D144 WeakPolarHBondContact CD-OD2 3.45Å; K73-D144 VanDerWaalsContact CE-OD2 3.23Å; K73-D144 WeakPolarHBondContact CE-OD2 3.37Å; K73-D144 IonicContact NZ-OD1 3.8Å; K73-D144 PolarHBondContact NZ-OD1 2.81Å; K73-D144 IonicContact NZ-OD2 2.82Å; K73-D144 PolarHBondContact NZ-OD2 2.88Å; K73-I153 HydrophobicContact CB-CG2 3.64Å; K73-I153 HydrophobicContact CD-CD1 4.28Å; K73-I153 WeakPolarHBondContact O-CG2 3.38Å
74	V	91.9	Very high	96.5	Very high	81 Å²	81	68.1 Å²	68.1	49%	0.491	36%	0.356	S	S	.	.	S	Bend	trans	-136.8	157.9	179.5	-63.6	0	0	0	0	109.4	H72 F77	H72-V74 VanDerWaalsContact C-N 3.28Å; H72-V74 PolarHBondContact CD2-O 3.29Å; H72-V74 WeakPolarHBondContact NE2-CG2 3.17Å; H72-V74 PolarHBondContact O-N 3.03Å; V74-F77 WeakPolarHBondContact O-CA 3.07Å; V74-F77 PolarHBondContact O-N 3.32Å
75	T	92.6	Very high	96.5	Very high	113 Å²	113	64.6 Å²	64.6	69%	0.693	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	128.1	176.5	-54.1	0	0	0	0	110.9	F77	T75-F77 WeakPolarHBondContact OG1-CE2 3.23Å
76	P	94.8	Very high	96.5	Very high	39 Å²	39	67.5 Å²	67.5	25%	0.253	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.7	15.2	17.3	39.4	-38.9	0	0	0	115.6	Y78	P76-Y78 VanDerWaalsContact C-N 3.28Å; P76-Y78 HydrophobicContact CB-CD1 4.12Å; P76-Y78 HydrophobicContact CB-CE1 3.54Å; P76-Y78 HydrophobicContact CG-CD1 4.19Å; P76-Y78 HydrophobicContact CG-CE1 3.8Å; P76-Y78 HydrophobicContact CG-CE2 4.25Å; P76-Y78 WeakPolarHBondContact O-CD1 3.13Å; P76-Y78 WeakPolarHBondContact O-CE1 3.45Å; P76-Y78 PolarHBondContact O-N 3.49Å
77	F	96	Very high	96.5	Very high	17 Å²	17	61.9 Å²	61.9	8%	0.075	33%	0.329	C	S	.	.	S	Bend	trans	66.3	20.1	178.4	-55.3	-80.3	0	0	0	116.1	H72 V74 T75 I106 A107 Y119 D154	H72-F77 WeakPolarHBondContact O-CA 3.3Å; V74-F77 WeakPolarHBondContact O-CA 3.07Å; V74-F77 PolarHBondContact O-N 3.32Å; T75-F77 WeakPolarHBondContact OG1-CE2 3.23Å; F77-I106 HydrophobicContact CE2-CG2 4.27Å; F77-I106 HydrophobicContact CZ-CG2 3.97Å; F77-A107 HydrophobicContact CB-CB 3.78Å; F77-A107 HydrophobicContact CD2-CB 3.67Å; F77-A107 HydrophobicContact CE2-CB 4.5Å; F77-A107 HydrophobicContact CG-CB 3.9Å; F77-Y119 HydrophobicContact CB-CE2 4.18Å; F77-Y119 PolarHBondContact O-OH 3.2Å; F77-D154 HydrophobicContact CE1-CB 4.1Å; F77-D154 HydrophobicContact CZ-CB 4.37Å
78	Y	97	Very high	96.5	Very high	44 Å²	44	60 Å²	60	17%	0.173	31%	0.309	C	S	.	.	S	Bend	trans	-149	159.6	167.7	61.4	-90.2	0	0	0	109.7	P76 Q80 L83 Y119 T122 I126	P76-Y78 VanDerWaalsContact C-N 3.28Å; P76-Y78 HydrophobicContact CB-CD1 4.12Å; P76-Y78 HydrophobicContact CB-CE1 3.54Å; P76-Y78 HydrophobicContact CG-CD1 4.19Å; P76-Y78 HydrophobicContact CG-CE1 3.8Å; P76-Y78 HydrophobicContact CG-CE2 4.25Å; P76-Y78 WeakPolarHBondContact O-CD1 3.13Å; P76-Y78 WeakPolarHBondContact O-CE1 3.45Å; P76-Y78 PolarHBondContact O-N 3.49Å; Y78-Q80 HydrophobicContact CE2-CG 4Å; Y78-Q80 PolarHBondContact O-N 2.8Å; Y78-L83 HydrophobicContact CD2-CD1 4.45Å; Y78-L83 HydrophobicContact CE2-CD1 3.69Å; Y78-L83 HydrophobicContact CE2-CG 4.32Å; Y78-Y119 HydrophobicContact CD1-CD2 4.39Å; Y78-Y119 HydrophobicContact CD1-CE2 4.27Å; Y78-T122 HydrophobicContact CD1-CG2 3.88Å; Y78-T122 HydrophobicContact CD2-CG2 4.01Å; Y78-T122 HydrophobicContact CE1-CG2 3.66Å; Y78-T122 HydrophobicContact CE2-CG2 3.8Å; Y78-T122 HydrophobicContact CG-CG2 4.06Å; Y78-I126 HydrophobicContact CD2-CD1 4.14Å; Y78-I126 HydrophobicContact CG-CD1 4.3Å
79	I	97.2	Very high	96.4	Very high	59 Å²	59	60.3 Å²	60.3	30%	0.303	31%	0.308	S	S	.	.			trans	-85.6	110.1	176.9	-58.5	175.8	0	0	0	108.4	C70 H72 K81 L82	C70-I79 HydrophobicContact CB-CD1 3.86Å; H72-I79 HydrophobicContact CB-CG1 4.15Å; I79-K81 HydrophobicContact CG2-CB 4.18Å; I79-K81 PolarHBondContact O-N 3.4Å; I79-L82 HydrophobicContact CB-CD1 4.04Å; I79-L82 HydrophobicContact CB-CG 4.08Å; I79-L82 HydrophobicContact CG2-CG 4.34Å; I79-L82 WeakPolarHBondContact O-CB 3.42Å; I79-L82 PolarHBondContact O-N 2.99Å
80	Q	97	Very high	96.4	Very high	134 Å²	134	57.9 Å²	57.9	63%	0.626	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-53	-34.7	-175.9	-68.8	-176.4	0.3	0	0	113.9	Y78 L82 L83	Y78-Q80 HydrophobicContact CE2-CG 4Å; Y78-Q80 PolarHBondContact O-N 2.8Å; Q80-L82 PolarHBondContact O-N 3.32Å; Q80-L82 VanDerWaalsContact O-N 3.14Å; Q80-L83 WeakPolarHBondContact O-CB 3.48Å; Q80-L83 PolarHBondContact O-N 2.97Å
81	K	97.1	Very high	96.4	Very high	146 Å²	146	58.2 Å²	58.2	64%	0.635	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-59.3	-24.8	178.8	-172.5	171.7	-179	-177.2	0	113.3	I79 L83 D84 T87	I79-K81 HydrophobicContact CG2-CB 4.18Å; I79-K81 PolarHBondContact O-N 3.4Å; K81-L83 PolarHBondContact O-N 3.38Å; K81-D84 PolarHBondContact O-N 3.48Å; K81-T87 HydrophobicContact CD-CG2 4.48Å; K81-T87 HydrophobicContact CG-CG2 4.01Å; K81-T87 VanDerWaalsContact CG-OG1 3.27Å; K81-T87 WeakPolarHBondContact CG-OG1 3.35Å; K81-T87 WeakPolarHBondContact O-CB 3.39Å; K81-T87 PolarHBondContact O-OG1 2.68Å
82	L	97.9	Very high	96.4	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-73.7	-10.4	176.3	-59.7	178.2	0	0	0	113.2	C70 I79 Q80 D84 T87 F88 I99 L101 I126 N129	C70-L82 HydrophobicContact CB-CD1 4.02Å; I79-L82 HydrophobicContact CB-CD1 4.04Å; I79-L82 HydrophobicContact CB-CG 4.08Å; I79-L82 HydrophobicContact CG2-CG 4.34Å; I79-L82 WeakPolarHBondContact O-CB 3.42Å; I79-L82 PolarHBondContact O-N 2.99Å; Q80-L82 PolarHBondContact O-N 3.32Å; Q80-L82 VanDerWaalsContact O-N 3.14Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-D84 PolarHBondContact O-N 2.97Å; L82-T87 HydrophobicContact CD2-CG2 4.01Å; L82-F88 HydrophobicContact CB-CE2 4.35Å; L82-F88 HydrophobicContact CB-CZ 4.16Å; L82-F88 HydrophobicContact CD2-CE1 4.25Å; L82-F88 HydrophobicContact CD2-CE2 4.46Å; L82-F88 HydrophobicContact CD2-CZ 3.94Å; L82-F88 VanDerWaalsContact O-CE2 3.26Å; L82-F88 WeakPolarHBondContact O-CE2 3.33Å; L82-I99 HydrophobicContact CD2-CD1 4.44Å; L82-L101 HydrophobicContact CD1-CD1 4.18Å; L82-I126 HydrophobicContact CB-CD1 4.07Å; L82-I126 HydrophobicContact CB-CG1 3.9Å; L82-I126 HydrophobicContact CB-CG2 3.93Å; L82-I126 HydrophobicContact CD1-CG2 4.07Å; L82-N129 PolarHBondContact O-ND2 3.15Å
83	L	98.3	Very high	96.4	Very high	44 Å²	44	62.5 Å²	62.5	23%	0.23	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-76	-16.6	173.3	-64.9	172.6	0	0	0	113.2	Y78 Q80 K81 T122 K125 I126 N129	Y78-L83 HydrophobicContact CD2-CD1 4.45Å; Y78-L83 HydrophobicContact CE2-CD1 3.69Å; Y78-L83 HydrophobicContact CE2-CG 4.32Å; Q80-L83 WeakPolarHBondContact O-CB 3.48Å; Q80-L83 PolarHBondContact O-N 2.97Å; K81-L83 PolarHBondContact O-N 3.38Å; L83-T122 HydrophobicContact CD1-CG2 4.41Å; L83-T122 HydrophobicContact CD2-CG2 3.79Å; L83-K125 HydrophobicContact CD2-CB 4.45Å; L83-K125 HydrophobicContact CD2-CD 4.09Å; L83-K125 HydrophobicContact CD2-CG 4.32Å; L83-I126 HydrophobicContact CD2-CD1 4.25Å; L83-I126 HydrophobicContact CD2-CG1 3.81Å; L83-I126 HydrophobicContact CG-CG1 4.44Å; L83-N129 VanDerWaalsContact C-ND2 3.29Å; L83-N129 PolarHBondContact O-ND2 2.92Å
84	D	98	Very high	96.6	Very high	82 Å²	82	68.9 Å²	68.9	44%	0.439	34%	0.336	S	S	.	.	S	Bend	trans	-88.8	115.8	172.5	179.1	5.5	0	0	0	110	K81 L82 H86 T87	K81-D84 PolarHBondContact O-N 3.48Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-D84 PolarHBondContact O-N 2.97Å; D84-H86 PolarHBondContact O-N 2.75Å; D84-H86 VanDerWaalsContact O-N 3.12Å; D84-H86 VanDerWaalsContact OD1-CB 3.29Å; D84-H86 WeakPolarHBondContact OD1-CB 3.31Å; D84-H86 PolarHBondContact OD1-N 2.87Å; D84-T87 VanDerWaalsContact O-CB 3.32Å; D84-T87 WeakPolarHBondContact O-CB 3.15Å; D84-T87 PolarHBondContact O-N 3.08Å; D84-T87 PolarHBondContact O-OG1 3.45Å
85	P	96.9	Very high	96.8	Very high	43 Å²	43	67.4 Å²	67.4	28%	0.279	34%	0.337	S	S	.	.	H	α-helix	trans	-54.4	-30.7	176.2	-19	26.9	0	0	0	113.1	T87 F88 K89 N129 Y133	P85-T87 PolarHBondContact O-N 3.05Å; P85-F88 PolarHBondContact O-N 2.7Å; P85-F88 VanDerWaalsContact O-N 3.08Å; P85-K89 PolarHBondContact O-N 2.71Å; P85-N129 WeakPolarHBondContact CG-OD1 3.22Å; P85-Y133 HydrophobicContact CB-CE2 3.85Å; P85-Y133 WeakPolarHBondContact O-CE2 3.28Å
86	H	97.4	Very high	97.1	Very high	101 Å²	101	63.3 Å²	63.3	47%	0.468	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-30.2	179.4	-174	74.2	0	0	0	112.6	D84 F88 K89 V90	D84-H86 PolarHBondContact O-N 2.75Å; D84-H86 VanDerWaalsContact O-N 3.12Å; D84-H86 VanDerWaalsContact OD1-CB 3.29Å; D84-H86 WeakPolarHBondContact OD1-CB 3.31Å; D84-H86 PolarHBondContact OD1-N 2.87Å; H86-F88 VanDerWaalsContact C-N 3.28Å; H86-F88 PolarHBondContact O-N 3.03Å; H86-K89 VanDerWaalsContact O-CB 3.31Å; H86-K89 WeakPolarHBondContact O-CB 3.06Å; H86-K89 PolarHBondContact O-N 2.86Å; H86-K89 VanDerWaalsContact O-N 3.15Å; H86-V90 PolarHBondContact O-N 3.36Å; H86-V90 VanDerWaalsContact O-N 3.1Å
87	T	97.7	Very high	97.2	Very high	12 Å²	12	63.9 Å²	63.9	7%	0.074	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-41.9	175.5	-63.2	0	0	0	0	111.8	K81 L82 D84 P85 V90 L91	K81-T87 HydrophobicContact CD-CG2 4.48Å; K81-T87 HydrophobicContact CG-CG2 4.01Å; K81-T87 VanDerWaalsContact CG-OG1 3.27Å; K81-T87 WeakPolarHBondContact CG-OG1 3.35Å; K81-T87 WeakPolarHBondContact O-CB 3.39Å; K81-T87 PolarHBondContact O-OG1 2.68Å; L82-T87 HydrophobicContact CD2-CG2 4.01Å; D84-T87 VanDerWaalsContact O-CB 3.32Å; D84-T87 WeakPolarHBondContact O-CB 3.15Å; D84-T87 PolarHBondContact O-N 3.08Å; D84-T87 PolarHBondContact O-OG1 3.45Å; P85-T87 PolarHBondContact O-N 3.05Å; T87-V90 PolarHBondContact O-N 3.06Å; T87-L91 HydrophobicContact CG2-CD1 4.25Å; T87-L91 WeakPolarHBondContact O-CG 3.49Å; T87-L91 PolarHBondContact O-N 3.17Å
88	F	97.9	Very high	97.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-73.3	-29.1	179.3	-66.1	-81.8	0	0	0	113	L82 P85 H86 V90 L91 R92 I99 I126 N129 A130 Y133 V135	L82-F88 HydrophobicContact CB-CE2 4.35Å; L82-F88 HydrophobicContact CB-CZ 4.16Å; L82-F88 HydrophobicContact CD2-CE1 4.25Å; L82-F88 HydrophobicContact CD2-CE2 4.46Å; L82-F88 HydrophobicContact CD2-CZ 3.94Å; L82-F88 VanDerWaalsContact O-CE2 3.26Å; L82-F88 WeakPolarHBondContact O-CE2 3.33Å; P85-F88 PolarHBondContact O-N 2.7Å; P85-F88 VanDerWaalsContact O-N 3.08Å; H86-F88 VanDerWaalsContact C-N 3.28Å; H86-F88 PolarHBondContact O-N 3.03Å; F88-V90 VanDerWaalsContact C-N 3.34Å; F88-L91 HydrophobicContact CD1-CD1 4.31Å; F88-L91 PolarHBondContact O-N 2.86Å; F88-R92 VanDerWaalsContact O-CB 3.23Å; F88-R92 WeakPolarHBondContact O-CB 3.38Å; F88-R92 PolarHBondContact O-N 2.93Å; F88-I99 HydrophobicContact CD1-CD1 4.17Å; F88-I99 HydrophobicContact CE1-CD1 3.6Å; F88-I126 HydrophobicContact CZ-CG2 4.13Å; F88-I126 WeakPolarHBondContact CZ-O 3.11Å; F88-N129 HydrophobicContact CD2-CB 3.61Å; F88-N129 HydrophobicContact CE2-CB 3.38Å; F88-N129 HydrophobicContact CZ-CB 4.35Å; F88-A130 VanDerWaalsContact CD1-CA 3.48Å; F88-A130 HydrophobicContact CD1-CB 3.7Å; F88-A130 HydrophobicContact CE1-CB 3.33Å; F88-A130 HydrophobicContact CE2-CB 4.47Å; F88-A130 HydrophobicContact CG-CB 4.39Å; F88-A130 HydrophobicContact CZ-CB 3.76Å; F88-Y133 HydrophobicContact CB-CD2 3.58Å; F88-Y133 HydrophobicContact CB-CE2 4.4Å; F88-Y133 HydrophobicContact CB-CG 4.04Å; F88-V135 HydrophobicContact CD1-CB 4.21Å; F88-V135 HydrophobicContact CD1-CG1 4.29Å; F88-V135 HydrophobicContact CD1-CG2 4.3Å
89	K	96.9	Very high	97.4	Very high	73 Å²	73	61.6 Å²	61.6	32%	0.317	30%	0.303	S	S	.	.	H	α-helix	trans	-58.5	-48.7	167.8	-171.2	-168.8	169.8	-65.1	0	110.5	P85 H86 R92 D93 Y133	P85-K89 PolarHBondContact O-N 2.71Å; H86-K89 VanDerWaalsContact O-CB 3.31Å; H86-K89 WeakPolarHBondContact O-CB 3.06Å; H86-K89 PolarHBondContact O-N 2.86Å; H86-K89 VanDerWaalsContact O-N 3.15Å; K89-R92 PolarHBondContact O-N 2.85Å; K89-D93 IonicContact NZ-OD2 2.67Å; K89-D93 PolarHBondContact NZ-OD2 3.02Å; K89-D93 WeakPolarHBondContact O-CB 3.44Å; K89-D93 PolarHBondContact O-N 3.34Å; K89-Y133 HydrophobicContact CB-CD1 3.82Å; K89-Y133 HydrophobicContact CB-CE1 3.54Å; K89-Y133 HydrophobicContact CB-CG 4.48Å; K89-Y133 HydrophobicContact CG-CD1 4.23Å; K89-Y133 HydrophobicContact CG-CE1 3.92Å
90	V	97.3	Very high	97.5	Very high	44 Å²	44	59.9 Å²	59.9	27%	0.267	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-46.8	179.8	175.9	0	0	0	0	111	H86 T87 F88 R92 D93 W94	H86-V90 PolarHBondContact O-N 3.36Å; H86-V90 VanDerWaalsContact O-N 3.1Å; T87-V90 PolarHBondContact O-N 3.06Å; F88-V90 VanDerWaalsContact C-N 3.34Å; V90-R92 PolarHBondContact O-N 3.03Å; V90-D93 PolarHBondContact O-N 3.33Å; V90-W94 HydrophobicContact CG1-CD2 4.25Å; V90-W94 HydrophobicContact CG1-CH2 4.33Å; V90-W94 HydrophobicContact CG1-CZ2 3.83Å; V90-W94 PolarHBondContact O-N 3.26Å
91	L	96.9	Very high	97.6	Very high	16 Å²	16	53.6 Å²	53.6	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-46.8	177.2	-70.2	176	0	0	0	111.7	I68 T87 F88 D93 W94 G95 I96 I99	I68-L91 HydrophobicContact CD1-CD1 4.41Å; I68-L91 HydrophobicContact CD1-CD2 3.89Å; T87-L91 HydrophobicContact CG2-CD1 4.25Å; T87-L91 WeakPolarHBondContact O-CG 3.49Å; T87-L91 PolarHBondContact O-N 3.17Å; F88-L91 HydrophobicContact CD1-CD1 4.31Å; F88-L91 PolarHBondContact O-N 2.86Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.46Å; L91-W94 HydrophobicContact CD2-CE3 4.32Å; L91-W94 CarbonylContact O-C 3.47Å; L91-W94 WeakPolarHBondContact O-CA 3.4Å; L91-W94 WeakPolarHBondContact O-CB 3.48Å; L91-W94 PolarHBondContact O-N 2.83Å; L91-W94 VanDerWaalsContact O-N 3.08Å; L91-G95 PolarHBondContact O-N 3.09Å; L91-I96 HydrophobicContact CB-CB 4.07Å; L91-I96 HydrophobicContact CB-CG2 4.28Å; L91-I96 HydrophobicContact CD2-CG1 4.42Å; L91-I96 VanDerWaalsContact O-CB 3.3Å; L91-I96 WeakPolarHBondContact O-CB 3.27Å; L91-I96 PolarHBondContact O-N 3.06Å; L91-I99 HydrophobicContact CD1-CD1 3.72Å
92	R	95.8	Very high	97.6	Very high	110 Å²	110	47 Å²	47	42%	0.415	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-42.6	175.5	-177	-154.3	66.1	-176.5	0.3	111.9	F88 K89 V90 W94 G95 I96 Y133	F88-R92 VanDerWaalsContact O-CB 3.23Å; F88-R92 WeakPolarHBondContact O-CB 3.38Å; F88-R92 PolarHBondContact O-N 2.93Å; K89-R92 PolarHBondContact O-N 2.85Å; V90-R92 PolarHBondContact O-N 3.03Å; R92-W94 PolarHBondContact O-N 3.49Å; R92-G95 WeakPolarHBondContact O-CA 3.43Å; R92-G95 PolarHBondContact O-N 2.9Å; R92-I96 WeakPolarHBondContact CA-O 3.31Å; R92-Y133 WeakPolarHBondContact CD-O 3.33Å
93	D	97	Very high	97.6	Very high	86 Å²	86	46.8 Å²	46.8	46%	0.46	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-21.5	177.9	-65.8	-10.2	0	0	0	112	K89 V90 L91 G95	K89-D93 IonicContact NZ-OD2 2.67Å; K89-D93 PolarHBondContact NZ-OD2 3.02Å; K89-D93 WeakPolarHBondContact O-CB 3.44Å; K89-D93 PolarHBondContact O-N 3.34Å; V90-D93 PolarHBondContact O-N 3.33Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.46Å; D93-G95 VanDerWaalsContact C-N 3.33Å
94	W	96.9	Very high	97.6	Very high	197 Å²	197	45.5 Å²	45.5	75%	0.746	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	0.2	168.7	-64.8	-9.3	0	0	0	114.1	V90 L91 R92	V90-W94 HydrophobicContact CG1-CD2 4.25Å; V90-W94 HydrophobicContact CG1-CH2 4.33Å; V90-W94 HydrophobicContact CG1-CZ2 3.83Å; V90-W94 PolarHBondContact O-N 3.26Å; L91-W94 HydrophobicContact CD2-CE3 4.32Å; L91-W94 CarbonylContact O-C 3.47Å; L91-W94 WeakPolarHBondContact O-CA 3.4Å; L91-W94 WeakPolarHBondContact O-CB 3.48Å; L91-W94 PolarHBondContact O-N 2.83Å; L91-W94 VanDerWaalsContact O-N 3.08Å; R92-W94 PolarHBondContact O-N 3.49Å
95	G	97	Very high	97.6	Very high	49 Å²	49	41.8 Å²	41.8	51%	0.505	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	7.9	-179	0	0	0	0	0	114.9	L91 R92 D93	L91-G95 PolarHBondContact O-N 3.09Å; R92-G95 WeakPolarHBondContact O-CA 3.43Å; R92-G95 PolarHBondContact O-N 2.9Å; D93-G95 VanDerWaalsContact C-N 3.33Å
96	I	98.1	Very high	97.6	Very high	28 Å²	28	41 Å²	41	14%	0.144	20%	0.204	C	C	.	.			trans	-74.9	125.1	174	-60.4	-59.6	0	0	0	109.5	H66 I68 L91 R92 V98 I99	H66-I96 WeakPolarHBondContact O-CA 3.42Å; I68-I96 HydrophobicContact CG2-CD1 4.02Å; L91-I96 HydrophobicContact CB-CB 4.07Å; L91-I96 HydrophobicContact CB-CG2 4.28Å; L91-I96 HydrophobicContact CD2-CG1 4.42Å; L91-I96 VanDerWaalsContact O-CB 3.3Å; L91-I96 WeakPolarHBondContact O-CB 3.27Å; L91-I96 PolarHBondContact O-N 3.06Å; R92-I96 WeakPolarHBondContact CA-O 3.31Å; I96-V98 WeakPolarHBondContact CG2-O 3.3Å; I96-I99 HydrophobicContact CG2-CG1 4.47Å
97	N	97.7	Very high	97.5	Very high	50 Å²	50	36.6 Å²	36.6	27%	0.267	19%	0.185	S	C	.	.			trans	-126.4	-0.4	179.1	69.2	3.6	0	0	0	114	L64 F65 H66 Y136	L64-N97 PolarHBondContact O-ND2 3.36Å; F65-N97 VanDerWaalsContact CA-OD1 3.29Å; F65-N97 WeakPolarHBondContact CA-OD1 3.19Å; H66-N97 PolarHBondContact N-OD1 3.06Å; H66-N97 PolarHBondContact O-N 3.35Å; H66-N97 PolarHBondContact O-OD1 3.49Å; H66-N97 VanDerWaalsContact O-OD1 3.14Å; N97-Y136 PolarHBondContact O-N 3.13Å
98	V	98.7	Very high	97.6	Very high	12 Å²	12	36 Å²	36	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	148	170.7	71.9	0	0	0	0	110.9	F65 G67 I68 I96 Y136 I138 L231	F65-V98 HydrophobicContact CB-CB 4.22Å; F65-V98 HydrophobicContact CB-CG1 3.82Å; F65-V98 HydrophobicContact CD1-CB 4.01Å; F65-V98 HydrophobicContact CG-CB 4.45Å; G67-V98 WeakPolarHBondContact CA-O 3.14Å; I68-V98 PolarHBondContact N-O 3.01Å; I96-V98 WeakPolarHBondContact CG2-O 3.3Å; V98-Y136 CarbonylContact C-O 3.58Å; V98-Y136 VanDerWaalsContact CA-O 3.28Å; V98-Y136 WeakPolarHBondContact CA-O 3.32Å; V98-I138 HydrophobicContact CG2-CD1 4.06Å; V98-I138 HydrophobicContact CG2-CG1 4.02Å; V98-L231 HydrophobicContact CG2-CD2 3.92Å
99	I	98.6	Very high	97.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132	167.9	-64.6	-179.8	0	0	0	108.7	I68 C70 L82 F88 L91 I96 L101 V135 Y136 I137 I138	I68-I99 HydrophobicContact CG1-CG1 4.17Å; I68-I99 WeakPolarHBondContact O-CA 3.37Å; C70-I99 HydrophobicContact CB-CG2 3.51Å; L82-I99 HydrophobicContact CD2-CD1 4.44Å; F88-I99 HydrophobicContact CD1-CD1 4.17Å; F88-I99 HydrophobicContact CE1-CD1 3.6Å; L91-I99 HydrophobicContact CD1-CD1 3.72Å; I96-I99 HydrophobicContact CG2-CG1 4.47Å; I99-L101 HydrophobicContact CG2-CB 4.36Å; I99-L101 PolarHBondContact O-N 2.85Å; I99-V135 HydrophobicContact CD1-CG1 4.12Å; I99-V135 HydrophobicContact CG1-CG1 3.87Å; I99-Y136 PolarHBondContact N-O 2.73Å; I99-I137 HydrophobicContact CB-CD1 3.98Å; I99-I137 WeakPolarHBondContact O-CA 2.97Å; I99-I138 PolarHBondContact O-N 3.44Å
100	R	98.7	Very high	97.5	Very high	23 Å²	23	34.5 Å²	34.5	9%	0.087	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	103	164.2	-179.5	168.6	174.9	-96	7.2	108.4	I68 N69 C70 D140 E234 N237	I68-R100 PolarHBondContact O-N 2.94Å; N69-R100 WeakPolarHBondContact OD1-CD 3.41Å; N69-R100 PolarHBondContact OD1-NH1 3.33Å; C70-R100 PolarHBondContact N-O 2.99Å; R100-D140 HydrophobicContact CG-CB 3.9Å; R100-D140 IonicContact CZ-OD1 3.61Å; R100-D140 IonicContact CZ-OD2 2.63Å; R100-D140 IonicContact NE-OD2 2.73Å; R100-D140 IonicContact NH1-OD2 2.91Å; R100-D140 PolarHBondContact NH1-OD2 3.46Å; R100-D140 VanDerWaalsContact NH2-CG 3.26Å; R100-D140 IonicContact NH2-OD1 3.5Å; R100-D140 PolarHBondContact NH2-OD1 3.2Å; R100-D140 IonicContact NH2-OD2 2.93Å; R100-D140 PolarHBondContact NH2-OD2 3.41Å; R100-E234 WeakPolarHBondContact CD-OE2 3.37Å; R100-E234 IonicContact CZ-OE1 2.67Å; R100-E234 IonicContact CZ-OE2 3.8Å; R100-E234 IonicContact NE-OE1 3.38Å; R100-E234 PolarHBondContact NE-OE1 3.15Å; R100-E234 IonicContact NE-OE2 3.21Å; R100-E234 PolarHBondContact NE-OE2 3.28Å; R100-E234 IonicContact NH2-OE1 3.41Å; R100-E234 PolarHBondContact NH2-OE1 2.62Å; R100-E234 IonicContact NH2-OE2 3.09Å; R100-N237 PolarHBondContact NH2-OD1 3.32Å
101	L	98.7	Very high	97.5	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.6	-171.9	-178.9	67.3	0	0	0	109.6	C70 L82 I99 F103 I123 I126 I127 I137 I138 D140	C70-L101 HydrophobicContact CB-CD1 4.34Å; L82-L101 HydrophobicContact CD1-CD1 4.18Å; I99-L101 HydrophobicContact CG2-CB 4.36Å; I99-L101 PolarHBondContact O-N 2.85Å; L101-F103 PolarHBondContact O-N 3.47Å; L101-I123 HydrophobicContact CD2-CG2 4.12Å; L101-I126 HydrophobicContact CD1-CG2 4.21Å; L101-I126 HydrophobicContact CD2-CG2 3.89Å; L101-I127 HydrophobicContact CD2-CG1 4.15Å; L101-I137 HydrophobicContact CB-CG2 3.76Å; L101-I137 HydrophobicContact CD2-CG2 4.02Å; L101-I138 PolarHBondContact N-O 2.91Å; L101-D140 PolarHBondContact O-N 3.16Å
102	G	98	Very high	97.4	Very high	8 Å²	8	39.8 Å²	39.8	8%	0.082	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.8	175.2	0	0	0	0	0	111.1	C70	C70-G102 PolarHBondContact O-N 3.34Å
103	F	97.9	Very high	97.4	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.221	C	C	.	.			trans	-113.7	97.3	173.4	-174.2	-136.9	0	0	0	109.4	L101 W105 L108 Y119 I120 I123 I139 D140 Y216 T220 F224	L101-F103 PolarHBondContact O-N 3.47Å; F103-W105 PolarHBondContact O-N 3.34Å; F103-L108 HydrophobicContact CE1-CD1 4.35Å; F103-L108 HydrophobicContact CE1-CD2 3.88Å; F103-L108 HydrophobicContact CE2-CD1 4.34Å; F103-L108 HydrophobicContact CZ-CD1 3.66Å; F103-L108 HydrophobicContact CZ-CD2 4.01Å; F103-L108 HydrophobicContact CZ-CG 4.28Å; F103-Y119 HydrophobicContact CD2-CD1 4.42Å; F103-Y119 AromaticContact CD2-CE1 3.44Å; F103-Y119 HydrophobicContact CD2-CE1 3.44Å; F103-Y119 VanDerWaalsContact CD2-CE1 3.44Å; F103-Y119 AromaticContact CD2-CZ 3.88Å; F103-Y119 AromaticContact CE2-CD1 3.84Å; F103-Y119 HydrophobicContact CE2-CD1 3.84Å; F103-Y119 AromaticContact CE2-CE1 3.29Å; F103-Y119 HydrophobicContact CE2-CE1 3.29Å; F103-Y119 HydrophobicContact CZ-CE1 4.37Å; F103-I120 HydrophobicContact CZ-CG1 4.37Å; F103-I123 HydrophobicContact CD2-CB 4.46Å; F103-I123 HydrophobicContact CD2-CG1 3.98Å; F103-I123 HydrophobicContact CD2-CG2 4.14Å; F103-I123 HydrophobicContact CE2-CB 4.37Å; F103-I123 HydrophobicContact CE2-CG1 4.07Å; F103-I123 HydrophobicContact CE2-CG2 4.34Å; F103-I139 HydrophobicContact CB-CG2 3.61Å; F103-I139 HydrophobicContact CD1-CG2 4.06Å; F103-I139 HydrophobicContact CG-CG2 4.14Å; F103-D140 PolarHBondContact N-O 3.47Å; F103-Y216 WeakPolarHBondContact CB-OH 3.49Å; F103-Y216 HydrophobicContact CD1-CE1 4.2Å; F103-Y216 HydrophobicContact CD1-CE2 4.02Å; F103-Y216 AromaticContact CD1-CZ 3.54Å; F103-Y216 WeakPolarHBondContact CD1-OH 3.39Å; F103-Y216 HydrophobicContact CE1-CE2 4.38Å; F103-Y216 PolarHBondContact O-OH 2.89Å; F103-T220 HydrophobicContact CD1-CG2 4.33Å; F103-T220 HydrophobicContact CE1-CG2 4.35Å; F103-T220 VanDerWaalsContact CE1-OG1 3.27Å; F103-T220 WeakPolarHBondContact CE1-OG1 3.46Å; F103-F224 HydrophobicContact CD1-CE2 4.5Å; F103-F224 HydrophobicContact CE1-CE2 4.03Å; F103-F224 HydrophobicContact CE2-CE2 4.26Å; F103-F224 HydrophobicContact CE2-CZ 4.47Å; F103-F224 AromaticContact CZ-CE2 3.89Å; F103-F224 HydrophobicContact CZ-CE2 3.89Å; F103-F224 HydrophobicContact CZ-CZ 4.36Å
104	S	97.5	Very high	97.4	Very high	17 Å²	17	42.5 Å²	42.5	12%	0.119	22%	0.22	C	C	.	.			trans	-69.9	124.5	-168.9	171	0	0	0	0	111.7	I106 A107 L108 Y119	S104-I106 VanDerWaalsContact C-N 3.34Å; S104-I106 PolarHBondContact OG-N 3.11Å; S104-A107 PolarHBondContact O-N 3.26Å; S104-A107 PolarHBondContact OG-N 3.03Å; S104-L108 WeakPolarHBondContact O-CB 3.39Å; S104-L108 PolarHBondContact O-N 3.33Å; S104-Y119 PolarHBondContact N-OH 2.94Å
105	W	97.5	Very high	97.5	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.011	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-39.8	173.5	-164.8	-7.1	0	0	0	111.2	F103 A107 L108 K109 F141 V156 W159 F160 Y212 F213 Y216	F103-W105 PolarHBondContact O-N 3.34Å; W105-A107 VanDerWaalsContact C-N 3.29Å; W105-A107 PolarHBondContact O-N 2.94Å; W105-L108 PolarHBondContact O-N 2.9Å; W105-L108 VanDerWaalsContact O-N 3.16Å; W105-K109 PolarHBondContact O-N 3.1Å; W105-F141 HydrophobicContact CB-CE2 4.27Å; W105-F141 AromaticContact CD2-CE2 3.91Å; W105-F141 HydrophobicContact CD2-CE2 3.91Å; W105-F141 HydrophobicContact CD2-CZ 4.3Å; W105-F141 AromaticContact CE3-CE2 3.19Å; W105-F141 HydrophobicContact CE3-CE2 3.19Å; W105-F141 AromaticContact CE3-CZ 3.22Å; W105-F141 HydrophobicContact CE3-CZ 3.22Å; W105-F141 HydrophobicContact CG-CE2 4.41Å; W105-F141 AromaticContact CZ3-CE2 3.6Å; W105-F141 HydrophobicContact CZ3-CE2 3.6Å; W105-F141 AromaticContact CZ3-CZ 3.51Å; W105-F141 HydrophobicContact CZ3-CZ 3.51Å; W105-V156 HydrophobicContact CE3-CB 4.07Å; W105-V156 HydrophobicContact CE3-CG1 3.58Å; W105-V156 HydrophobicContact CZ3-CG1 4.12Å; W105-W159 HydrophobicContact CZ2-CH2 4.44Å; W105-F160 AromaticContact CH2-CD2 3.96Å; W105-F160 HydrophobicContact CH2-CD2 3.96Å; W105-F160 AromaticContact CH2-CE2 3.95Å; W105-F160 HydrophobicContact CH2-CE2 3.95Å; W105-F160 HydrophobicContact CH2-CG 4.47Å; W105-F160 HydrophobicContact CH2-CZ 4.44Å; W105-F160 HydrophobicContact CZ2-CD2 4.32Å; W105-F160 HydrophobicContact CZ3-CE2 4.45Å; W105-Y212 WeakPolarHBondContact CZ2-O 3.35Å; W105-F213 HydrophobicContact CH2-CD1 4.16Å; W105-F213 AromaticContact CH2-CD2 3.94Å; W105-F213 HydrophobicContact CH2-CD2 3.94Å; W105-F213 HydrophobicContact CH2-CE1 4.34Å; W105-F213 HydrophobicContact CH2-CE2 4.11Å; W105-F213 AromaticContact CH2-CG 3.97Å; W105-F213 HydrophobicContact CH2-CG 3.97Å; W105-F213 HydrophobicContact CH2-CZ 4.31Å; W105-F213 AromaticContact CZ3-CD1 3.88Å; W105-F213 HydrophobicContact CZ3-CD1 3.88Å; W105-F213 HydrophobicContact CZ3-CD2 4.2Å; W105-F213 AromaticContact CZ3-CE1 3.69Å; W105-F213 HydrophobicContact CZ3-CE1 3.69Å; W105-F213 HydrophobicContact CZ3-CE2 4.01Å; W105-F213 HydrophobicContact CZ3-CG 4.14Å; W105-F213 AromaticContact CZ3-CZ 3.75Å; W105-F213 HydrophobicContact CZ3-CZ 3.75Å; W105-Y216 HydrophobicContact CB-CD2 4.11Å; W105-Y216 HydrophobicContact CB-CE2 4.11Å; W105-Y216 HydrophobicContact CD2-CD2 4.25Å; W105-Y216 AromaticContact CG-CD2 3.91Å; W105-Y216 HydrophobicContact CG-CD2 3.91Å; W105-Y216 HydrophobicContact CG-CE2 4.42Å
106	I	96.5	Very high	97.5	Very high	27 Å²	27	35.4 Å²	35.4	14%	0.138	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-40.2	178.2	-70.1	163	0	0	0	111.7	F77 S104 P110 D154 A155 T157	F77-I106 HydrophobicContact CE2-CG2 4.27Å; F77-I106 HydrophobicContact CZ-CG2 3.97Å; S104-I106 VanDerWaalsContact C-N 3.34Å; S104-I106 PolarHBondContact OG-N 3.11Å; I106-P110 WeakPolarHBondContact O-CA 3.49Å; I106-D154 VanDerWaalsContact CD1-CA 3.44Å; I106-D154 HydrophobicContact CD1-CB 3.35Å; I106-A155 VanDerWaalsContact CD1-C 3.48Å; I106-A155 VanDerWaalsContact CD1-N 3.28Å; I106-A155 WeakPolarHBondContact CG1-O 3.32Å; I106-T157 HydrophobicContact CB-CG2 4.15Å; I106-T157 HydrophobicContact CG1-CG2 3.67Å; I106-T157 HydrophobicContact CG2-CG2 4.42Å
107	A	97.2	Very high	97.5	Very high	8 Å²	8	39.1 Å²	39.1	7%	0.066	21%	0.206	C	C	.	.	H	α-helix	trans	-70.9	-37.9	176.2	0	0	0	0	0	112.1	F77 S104 W105 N116 Y119	F77-A107 HydrophobicContact CB-CB 3.78Å; F77-A107 HydrophobicContact CD2-CB 3.67Å; F77-A107 HydrophobicContact CE2-CB 4.5Å; F77-A107 HydrophobicContact CG-CB 3.9Å; S104-A107 PolarHBondContact O-N 3.26Å; S104-A107 PolarHBondContact OG-N 3.03Å; W105-A107 VanDerWaalsContact C-N 3.29Å; W105-A107 PolarHBondContact O-N 2.94Å; A107-N116 WeakPolarHBondContact O-CB 3.33Å; A107-N116 PolarHBondContact O-ND2 2.62Å; A107-Y119 HydrophobicContact CB-CD1 3.67Å; A107-Y119 HydrophobicContact CB-CD2 3.68Å; A107-Y119 HydrophobicContact CB-CE1 3.57Å; A107-Y119 HydrophobicContact CB-CE2 3.6Å; A107-Y119 HydrophobicContact CB-CG 3.72Å
108	L	98.1	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.9	-48.5	179.6	-179.1	62.3	0	0	0	113	F103 S104 W105 T115 N116 Y119 I120 Y216 I219	F103-L108 HydrophobicContact CE1-CD1 4.35Å; F103-L108 HydrophobicContact CE1-CD2 3.88Å; F103-L108 HydrophobicContact CE2-CD1 4.34Å; F103-L108 HydrophobicContact CZ-CD1 3.66Å; F103-L108 HydrophobicContact CZ-CD2 4.01Å; F103-L108 HydrophobicContact CZ-CG 4.28Å; S104-L108 WeakPolarHBondContact O-CB 3.39Å; S104-L108 PolarHBondContact O-N 3.33Å; W105-L108 PolarHBondContact O-N 2.9Å; W105-L108 VanDerWaalsContact O-N 3.16Å; L108-T115 HydrophobicContact CD1-CG2 4.19Å; L108-T115 WeakPolarHBondContact O-CA 3.06Å; L108-N116 PolarHBondContact O-N 2.54Å; L108-Y119 HydrophobicContact CB-CD1 4.3Å; L108-Y119 HydrophobicContact CB-CE1 4.36Å; L108-I120 HydrophobicContact CD1-CD1 3.57Å; L108-I120 HydrophobicContact CD1-CG1 3.49Å; L108-I120 VanDerWaalsContact CD1-CG1 3.49Å; L108-Y216 HydrophobicContact CD2-CD2 3.48Å; L108-Y216 VanDerWaalsContact CD2-CD2 3.48Å; L108-Y216 HydrophobicContact CD2-CE2 3.83Å; L108-Y216 HydrophobicContact CD2-CG 4.2Å; L108-I219 HydrophobicContact CD1-CG2 3.96Å; L108-I219 HydrophobicContact CD2-CD1 4.48Å
109	K	97.4	Very high	97.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	23%	0.225	C	C	.	.			trans	-129.1	69.9	-174.5	-56.8	-142.6	77.9	-172.5	0	111	W105 H111 E112 E114 T115 T157 W159 E215 I219	W105-K109 PolarHBondContact O-N 3.1Å; K109-H111 PolarHBondContact O-N 2.71Å; K109-H111 VanDerWaalsContact O-N 3.14Å; K109-E112 PolarHBondContact NZ-O 2.79Å; K109-E114 WeakPolarHBondContact CA-O 3.3Å; K109-E114 VanDerWaalsContact CE-O 3.29Å; K109-E114 WeakPolarHBondContact CE-O 3.11Å; K109-T115 WeakPolarHBondContact CE-OG1 3.21Å; K109-T157 VanDerWaalsContact O-CG2 3.29Å; K109-T157 WeakPolarHBondContact O-CG2 3.35Å; K109-W159 HydrophobicContact CB-CZ2 3.98Å; K109-W159 PolarHBondContact O-NE1 3.04Å; K109-E215 IonicContact NZ-OE1 3.9Å; K109-E215 PolarHBondContact NZ-OE1 3.26Å; K109-E215 IonicContact NZ-OE2 3.26Å; K109-E215 PolarHBondContact NZ-OE2 2.99Å; K109-I219 HydrophobicContact CD-CD1 4.18Å
110	P	96	Very high	97.6	Very high	40 Å²	40	43.8 Å²	43.8	26%	0.26	23%	0.225	S	C	.	.	S	Bend	trans	-56.8	-32.1	-179.2	23.4	-33.9	0	0	0	112.2	I106 E114	I106-P110 WeakPolarHBondContact O-CA 3.49Å; P110-E114 HydrophobicContact CG-CG 4.4Å
111	H	96.5	Very high	97.5	Very high	117 Å²	117	46.5 Å²	46.5	54%	0.542	24%	0.242	S	C	.	.	S	Bend	trans	-128.4	156.3	172.6	-59.6	-72.3	0	0	0	110.6	K109 N113 E114 W159	K109-H111 PolarHBondContact O-N 2.71Å; K109-H111 VanDerWaalsContact O-N 3.14Å; H111-N113 VanDerWaalsContact C-N 3.28Å; H111-N113 PolarHBondContact O-N 2.78Å; H111-E114 HydrophobicContact CB-CB 3.97Å; H111-E114 IonicContact CD2-OE2 3.4Å; H111-E114 PolarHBondContact CD2-OE2 2.91Å; H111-E114 VanDerWaalsContact CD2-OE2 3.26Å; H111-E114 PolarHBondContact O-N 2.9Å; H111-E114 VanDerWaalsContact O-N 3.1Å; H111-E114 VanDerWaalsContact O-O 3.11Å; H111-W159 VanDerWaalsContact C-NE1 3.33Å
112	E	95.7	Very high	97.5	Very high	54 Å²	54	47.5 Å²	47.5	25%	0.252	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-44.4	-174.2	-176.5	169.7	-161.5	0	0	112.6	K109 W159 K163 Y212	K109-E112 PolarHBondContact NZ-O 2.79Å; E112-W159 HydrophobicContact CB-CD2 3.68Å; E112-W159 HydrophobicContact CB-CE3 3.56Å; E112-W159 HydrophobicContact CB-CG 4.15Å; E112-W159 HydrophobicContact CB-CZ3 4.08Å; E112-W159 HydrophobicContact CG-CD2 4.35Å; E112-W159 HydrophobicContact CG-CE3 3.72Å; E112-W159 HydrophobicContact CG-CZ3 3.83Å; E112-K163 WeakPolarHBondContact OE1-CE 3.4Å; E112-K163 IonicContact OE1-NZ 3.55Å; E112-K163 PolarHBondContact OE1-NZ 2.82Å; E112-K163 WeakPolarHBondContact OE2-CE 3.39Å; E112-K163 IonicContact OE2-NZ 2.8Å; E112-K163 PolarHBondContact OE2-NZ 2.84Å; E112-Y212 HydrophobicContact CG-CE1 4.37Å; E112-Y212 WeakPolarHBondContact OE1-CE1 3.34Å; E112-Y212 PolarHBondContact OE1-OH 3.47Å
113	N	96.1	Very high	97.6	Very high	158 Å²	158	47.2 Å²	47.2	85%	0.845	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	12.3	-176.1	-59.6	-39.5	0	0	0	113.4	H111	H111-N113 VanDerWaalsContact C-N 3.28Å; H111-N113 PolarHBondContact O-N 2.78Å
114	E	97.2	Very high	97.6	Very high	94 Å²	94	49.4 Å²	49.4	44%	0.439	26%	0.255	S	S	.	.			trans	-118.5	130	-179.1	-170	179.1	151.8	0	0	110.2	K109 P110 H111	K109-E114 WeakPolarHBondContact CA-O 3.3Å; K109-E114 VanDerWaalsContact CE-O 3.29Å; K109-E114 WeakPolarHBondContact CE-O 3.11Å; P110-E114 HydrophobicContact CG-CG 4.4Å; H111-E114 HydrophobicContact CB-CB 3.97Å; H111-E114 IonicContact CD2-OE2 3.4Å; H111-E114 PolarHBondContact CD2-OE2 2.91Å; H111-E114 VanDerWaalsContact CD2-OE2 3.26Å; H111-E114 PolarHBondContact O-N 2.9Å; H111-E114 VanDerWaalsContact O-N 3.1Å; H111-E114 VanDerWaalsContact O-O 3.11Å
115	T	98.1	Very high	97.7	Very high	48 Å²	48	54 Å²	54	29%	0.294	27%	0.272	S	S	.	.			trans	-114	120.8	170.6	-58.4	0	0	0	0	108.1	L108 K109 L117 I120 I219	L108-T115 HydrophobicContact CD1-CG2 4.19Å; L108-T115 WeakPolarHBondContact O-CA 3.06Å; K109-T115 WeakPolarHBondContact CE-OG1 3.21Å; T115-L117 HydrophobicContact CG2-CD2 4.29Å; T115-L117 PolarHBondContact O-N 3.5Å; T115-I120 HydrophobicContact CG2-CD1 3.65Å; T115-I219 HydrophobicContact CG2-CD1 4.04Å; T115-I219 HydrophobicContact CG2-CG2 4.37Å
116	N	98.3	Very high	97.7	Very high	50 Å²	50	53.9 Å²	53.9	27%	0.267	27%	0.272	S	S	.	.			trans	-78.1	92.7	-179.5	-174.7	-15.2	0	0	0	110.4	A107 L108 E118 Y119 I120	A107-N116 WeakPolarHBondContact O-CB 3.33Å; A107-N116 PolarHBondContact O-ND2 2.62Å; L108-N116 PolarHBondContact O-N 2.54Å; N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 3.32Å; N116-E118 PolarHBondContact OD1-N 2.75Å; N116-Y119 PolarHBondContact O-N 3.34Å; N116-Y119 PolarHBondContact OD1-N 2.98Å; N116-I120 WeakPolarHBondContact O-CG1 3.44Å; N116-I120 PolarHBondContact O-N 2.76Å
117	L	98.1	Very high	97.8	Very high	105 Å²	105	52.6 Å²	52.6	55%	0.55	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-34.2	-179.6	-61.2	-178.7	0	0	0	112.6	T115 Y119 I120 D121	T115-L117 HydrophobicContact CG2-CD2 4.29Å; T115-L117 PolarHBondContact O-N 3.5Å; L117-Y119 VanDerWaalsContact C-N 3.33Å; L117-Y119 PolarHBondContact O-N 3.06Å; L117-I120 HydrophobicContact CD2-CD1 4.19Å; L117-I120 PolarHBondContact O-N 2.88Å; L117-D121 PolarHBondContact O-N 3.4Å
118	E	98.2	Very high	97.9	Very high	150 Å²	150	55.4 Å²	55.4	70%	0.701	28%	0.28	S	S	*	.	H	α-helix	trans	-64	-39.2	178.1	-175.9	179.3	-177.2	0	0	111.6	N116 D121 T122	N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 3.32Å; N116-E118 PolarHBondContact OD1-N 2.75Å; E118-D121 PolarHBondContact O-N 2.87Å; E118-T122 WeakPolarHBondContact O-CB 3.44Å; E118-T122 PolarHBondContact O-N 2.72Å; E118-T122 PolarHBondContact O-OG1 3.38Å
119	Y	98.3	Very high	97.9	Very high	8 Å²	8	56.1 Å²	56.1	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-44.8	172.9	176.9	-114.4	0	0	0	111.5	F77 Y78 F103 S104 A107 L108 N116 L117 D121 T122 I123	F77-Y119 HydrophobicContact CB-CE2 4.18Å; F77-Y119 PolarHBondContact O-OH 3.2Å; Y78-Y119 HydrophobicContact CD1-CD2 4.39Å; Y78-Y119 HydrophobicContact CD1-CE2 4.27Å; F103-Y119 HydrophobicContact CD2-CD1 4.42Å; F103-Y119 AromaticContact CD2-CE1 3.44Å; F103-Y119 HydrophobicContact CD2-CE1 3.44Å; F103-Y119 VanDerWaalsContact CD2-CE1 3.44Å; F103-Y119 AromaticContact CD2-CZ 3.88Å; F103-Y119 AromaticContact CE2-CD1 3.84Å; F103-Y119 HydrophobicContact CE2-CD1 3.84Å; F103-Y119 AromaticContact CE2-CE1 3.29Å; F103-Y119 HydrophobicContact CE2-CE1 3.29Å; F103-Y119 HydrophobicContact CZ-CE1 4.37Å; S104-Y119 PolarHBondContact N-OH 2.94Å; A107-Y119 HydrophobicContact CB-CD1 3.67Å; A107-Y119 HydrophobicContact CB-CD2 3.68Å; A107-Y119 HydrophobicContact CB-CE1 3.57Å; A107-Y119 HydrophobicContact CB-CE2 3.6Å; A107-Y119 HydrophobicContact CB-CG 3.72Å; L108-Y119 HydrophobicContact CB-CD1 4.3Å; L108-Y119 HydrophobicContact CB-CE1 4.36Å; N116-Y119 PolarHBondContact O-N 3.34Å; N116-Y119 PolarHBondContact OD1-N 2.98Å; L117-Y119 VanDerWaalsContact C-N 3.33Å; L117-Y119 PolarHBondContact O-N 3.06Å; Y119-D121 PolarHBondContact O-N 3.32Å; Y119-T122 WeakPolarHBondContact O-CB 3.38Å; Y119-T122 PolarHBondContact O-N 3.32Å; Y119-I123 HydrophobicContact CD2-CG1 4.23Å; Y119-I123 HydrophobicContact CE1-CG1 4.1Å; Y119-I123 HydrophobicContact CE2-CD1 3.85Å; Y119-I123 HydrophobicContact CE2-CG1 3.76Å; Y119-I123 WeakPolarHBondContact O-CG1 3.06Å; Y119-I123 PolarHBondContact O-N 3.16Å
120	I	98.6	Very high	97.9	Very high	3 Å²	3	56 Å²	56	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-46.4	177.6	-61.7	171.4	0	0	0	110.8	F103 L108 T115 N116 L117 T122 I123 E124 I219 R223 F224	F103-I120 HydrophobicContact CZ-CG1 4.37Å; L108-I120 HydrophobicContact CD1-CD1 3.57Å; L108-I120 HydrophobicContact CD1-CG1 3.49Å; L108-I120 VanDerWaalsContact CD1-CG1 3.49Å; T115-I120 HydrophobicContact CG2-CD1 3.65Å; N116-I120 WeakPolarHBondContact O-CG1 3.44Å; N116-I120 PolarHBondContact O-N 2.76Å; L117-I120 HydrophobicContact CD2-CD1 4.19Å; L117-I120 PolarHBondContact O-N 2.88Å; I120-T122 VanDerWaalsContact C-N 3.25Å; I120-T122 PolarHBondContact O-N 2.83Å; I120-I123 PolarHBondContact O-N 2.76Å; I120-E124 WeakPolarHBondContact O-CB 3.27Å; I120-E124 PolarHBondContact O-N 3.27Å; I120-I219 HydrophobicContact CD1-CG2 3.57Å; I120-R223 HydrophobicContact CG2-CB 4.13Å; I120-R223 HydrophobicContact CG2-CG 3.56Å; I120-F224 HydrophobicContact CG2-CE1 4.42Å; I120-F224 HydrophobicContact CG2-CZ 4.05Å
121	D	98.7	Very high	98	Very high	81 Å²	81	54.3 Å²	54.3	43%	0.433	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-36.2	178.3	-65.7	-9	0	0	0	111.5	L117 E118 Y119 E124 K125 R223	L117-D121 PolarHBondContact O-N 3.4Å; E118-D121 PolarHBondContact O-N 2.87Å; Y119-D121 PolarHBondContact O-N 3.32Å; D121-E124 WeakPolarHBondContact O-CB 3.06Å; D121-K125 PolarHBondContact O-N 3.18Å; D121-R223 IonicContact OD1-CZ 3.42Å; D121-R223 IonicContact OD1-NH1 3.36Å; D121-R223 PolarHBondContact OD1-NH1 3.35Å; D121-R223 IonicContact OD1-NH2 2.66Å; D121-R223 PolarHBondContact OD1-NH2 2.8Å
122	T	98.6	Very high	98	Very high	24 Å²	24	54.8 Å²	54.8	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-45.4	176.6	-60.4	0	0	0	0	111.8	Y78 L83 E118 Y119 I120 K125 I126	Y78-T122 HydrophobicContact CD1-CG2 3.88Å; Y78-T122 HydrophobicContact CD2-CG2 4.01Å; Y78-T122 HydrophobicContact CE1-CG2 3.66Å; Y78-T122 HydrophobicContact CE2-CG2 3.8Å; Y78-T122 HydrophobicContact CG-CG2 4.06Å; L83-T122 HydrophobicContact CD1-CG2 4.41Å; L83-T122 HydrophobicContact CD2-CG2 3.79Å; E118-T122 WeakPolarHBondContact O-CB 3.44Å; E118-T122 PolarHBondContact O-N 2.72Å; E118-T122 PolarHBondContact O-OG1 3.38Å; Y119-T122 WeakPolarHBondContact O-CB 3.38Å; Y119-T122 PolarHBondContact O-N 3.32Å; I120-T122 VanDerWaalsContact C-N 3.25Å; I120-T122 PolarHBondContact O-N 2.83Å; T122-K125 PolarHBondContact O-N 2.98Å; T122-I126 WeakPolarHBondContact O-CG1 3.44Å; T122-I126 PolarHBondContact O-N 3.1Å; T122-I126 VanDerWaalsContact O-N 3.14Å
123	I	98.7	Very high	98	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-40.1	175.9	-64.4	-63.7	0	0	0	110.8	L101 F103 Y119 I120 K125 I126 I127 F224	L101-I123 HydrophobicContact CD2-CG2 4.12Å; F103-I123 HydrophobicContact CD2-CB 4.46Å; F103-I123 HydrophobicContact CD2-CG1 3.98Å; F103-I123 HydrophobicContact CD2-CG2 4.14Å; F103-I123 HydrophobicContact CE2-CB 4.37Å; F103-I123 HydrophobicContact CE2-CG1 4.07Å; F103-I123 HydrophobicContact CE2-CG2 4.34Å; Y119-I123 HydrophobicContact CD2-CG1 4.23Å; Y119-I123 HydrophobicContact CE1-CG1 4.1Å; Y119-I123 HydrophobicContact CE2-CD1 3.85Å; Y119-I123 HydrophobicContact CE2-CG1 3.76Å; Y119-I123 WeakPolarHBondContact O-CG1 3.06Å; Y119-I123 PolarHBondContact O-N 3.16Å; I120-I123 PolarHBondContact O-N 2.76Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.38Å; I123-I126 HydrophobicContact CD1-CD1 4.4Å; I123-I126 WeakPolarHBondContact O-CB 3.46Å; I123-I126 PolarHBondContact O-N 2.85Å; I123-I126 VanDerWaalsContact O-N 3.15Å; I123-I127 HydrophobicContact CG2-CD1 3.92Å; I123-I127 HydrophobicContact CG2-CG1 4.42Å; I123-I127 WeakPolarHBondContact O-CG1 3.18Å; I123-I127 PolarHBondContact O-N 3.14Å; I123-F224 HydrophobicContact CB-CZ 4.17Å; I123-F224 HydrophobicContact CG2-CE1 4.35Å; I123-F224 HydrophobicContact CG2-CE2 4.21Å; I123-F224 HydrophobicContact CG2-CZ 3.71Å
124	E	98.7	Very high	97.9	Very high	47 Å²	47	49.1 Å²	49.1	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-54.9	-49	173	174.9	151.2	-131.7	0	0	111.5	I120 D121 I126 I127 D128 R223 F224 K227	I120-E124 WeakPolarHBondContact O-CB 3.27Å; I120-E124 PolarHBondContact O-N 3.27Å; D121-E124 WeakPolarHBondContact O-CB 3.06Å; E124-I126 VanDerWaalsContact C-N 3.3Å; E124-I126 PolarHBondContact O-N 3.38Å; E124-I127 PolarHBondContact O-N 2.87Å; E124-I127 VanDerWaalsContact O-N 3.11Å; E124-D128 WeakPolarHBondContact CG-OD2 3.43Å; E124-D128 PolarHBondContact O-N 3.01Å; E124-R223 WeakPolarHBondContact OE2-CD 3.41Å; E124-R223 IonicContact OE2-CZ 3.74Å; E124-R223 IonicContact OE2-NH1 2.65Å; E124-R223 PolarHBondContact OE2-NH1 3.02Å; E124-F224 HydrophobicContact CB-CE1 3.93Å; E124-K227 WeakPolarHBondContact OE1-CE 3.5Å; E124-K227 IonicContact OE1-NZ 2.65Å; E124-K227 PolarHBondContact OE1-NZ 3.43Å
125	K	98.6	Very high	98	Very high	113 Å²	113	44.7 Å²	44.7	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-38.9	177.1	-177.2	173.6	177.3	179.5	0	112.6	L83 D121 T122 I123 D128 N129	L83-K125 HydrophobicContact CD2-CB 4.45Å; L83-K125 HydrophobicContact CD2-CD 4.09Å; L83-K125 HydrophobicContact CD2-CG 4.32Å; D121-K125 PolarHBondContact O-N 3.18Å; T122-K125 PolarHBondContact O-N 2.98Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.38Å; K125-D128 PolarHBondContact O-N 2.88Å; K125-N129 VanDerWaalsContact O-CB 3.31Å; K125-N129 WeakPolarHBondContact O-CB 3.32Å; K125-N129 PolarHBondContact O-N 2.94Å; K125-N129 PolarHBondContact O-ND2 2.91Å; K125-N129 PolarHBondContact O-OD1 3.42Å
126	I	98.7	Very high	98	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-45.9	174.5	-71.7	170.9	0	0	0	110.6	Y78 L82 L83 F88 L101 T122 I123 E124 N129 A130	Y78-I126 HydrophobicContact CD2-CD1 4.14Å; Y78-I126 HydrophobicContact CG-CD1 4.3Å; L82-I126 HydrophobicContact CB-CD1 4.07Å; L82-I126 HydrophobicContact CB-CG1 3.9Å; L82-I126 HydrophobicContact CB-CG2 3.93Å; L82-I126 HydrophobicContact CD1-CG2 4.07Å; L83-I126 HydrophobicContact CD2-CD1 4.25Å; L83-I126 HydrophobicContact CD2-CG1 3.81Å; L83-I126 HydrophobicContact CG-CG1 4.44Å; F88-I126 HydrophobicContact CZ-CG2 4.13Å; F88-I126 WeakPolarHBondContact CZ-O 3.11Å; L101-I126 HydrophobicContact CD1-CG2 4.21Å; L101-I126 HydrophobicContact CD2-CG2 3.89Å; T122-I126 WeakPolarHBondContact O-CG1 3.44Å; T122-I126 PolarHBondContact O-N 3.1Å; T122-I126 VanDerWaalsContact O-N 3.14Å; I123-I126 HydrophobicContact CD1-CD1 4.4Å; I123-I126 WeakPolarHBondContact O-CB 3.46Å; I123-I126 PolarHBondContact O-N 2.85Å; I123-I126 VanDerWaalsContact O-N 3.15Å; E124-I126 VanDerWaalsContact C-N 3.3Å; E124-I126 PolarHBondContact O-N 3.38Å; I126-N129 PolarHBondContact O-N 3.28Å; I126-A130 PolarHBondContact O-N 3.3Å
127	I	98.6	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-43	178.2	-63.8	166.9	0	0	0	110.5	L101 I123 E124 A130 G131 I137 I139 F224 K227 N229 V230	L101-I127 HydrophobicContact CD2-CG1 4.15Å; I123-I127 HydrophobicContact CG2-CD1 3.92Å; I123-I127 HydrophobicContact CG2-CG1 4.42Å; I123-I127 WeakPolarHBondContact O-CG1 3.18Å; I123-I127 PolarHBondContact O-N 3.14Å; E124-I127 PolarHBondContact O-N 2.87Å; E124-I127 VanDerWaalsContact O-N 3.11Å; I127-A130 WeakPolarHBondContact O-CB 3.34Å; I127-A130 PolarHBondContact O-N 2.8Å; I127-G131 PolarHBondContact O-N 3.39Å; I127-I137 HydrophobicContact CB-CG1 4.42Å; I127-I137 HydrophobicContact CG1-CB 4.5Å; I127-I137 HydrophobicContact CG1-CG1 4.14Å; I127-I137 HydrophobicContact CG1-CG2 4.23Å; I127-I137 HydrophobicContact CG2-CG1 4.2Å; I127-I139 HydrophobicContact CD1-CD1 3.99Å; I127-F224 HydrophobicContact CD1-CD1 3.65Å; I127-F224 HydrophobicContact CD1-CD2 4.3Å; I127-F224 HydrophobicContact CD1-CE1 3.8Å; I127-F224 HydrophobicContact CD1-CE2 4.43Å; I127-F224 HydrophobicContact CD1-CG 3.93Å; I127-F224 HydrophobicContact CD1-CZ 4.2Å; I127-K227 HydrophobicContact CB-CD 4.24Å; I127-K227 HydrophobicContact CG2-CB 4.48Å; I127-K227 HydrophobicContact CG2-CD 3.56Å; I127-N229 PolarHBondContact O-ND2 3.1Å; I127-V230 HydrophobicContact CD1-CG2 4.46Å; I127-V230 HydrophobicContact CG2-CG2 3.83Å
128	D	98.4	Very high	98	Very high	68 Å²	68	37.2 Å²	37.2	36%	0.364	19%	0.188	S	C	.	.	H	α-helix	trans	-65.7	-43.7	179.1	-70.6	-27.7	0	0	0	111.7	E124 K125 A130 G131 L132 K227	E124-D128 WeakPolarHBondContact CG-OD2 3.43Å; E124-D128 PolarHBondContact O-N 3.01Å; K125-D128 PolarHBondContact O-N 2.88Å; D128-A130 VanDerWaalsContact C-N 3.29Å; D128-A130 PolarHBondContact O-N 3.43Å; D128-G131 PolarHBondContact O-N 3.25Å; D128-G131 VanDerWaalsContact O-N 3.12Å; D128-L132 WeakPolarHBondContact O-CG 3.29Å; D128-L132 PolarHBondContact O-N 3.48Å; D128-K227 IonicContact OD1-NZ 2.71Å; D128-K227 PolarHBondContact OD1-NZ 3.5Å; D128-K227 IonicContact OD2-NZ 3.1Å; D128-K227 PolarHBondContact OD2-NZ 2.9Å
129	N	98.3	Very high	98.1	Very high	14 Å²	14	30 Å²	30	8%	0.075	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-41.1	173.3	-75.2	-11.6	0	0	0	112	L82 L83 P85 F88 K125 I126 L132 Y133	L82-N129 PolarHBondContact O-ND2 3.15Å; L83-N129 VanDerWaalsContact C-ND2 3.29Å; L83-N129 PolarHBondContact O-ND2 2.92Å; P85-N129 WeakPolarHBondContact CG-OD1 3.22Å; F88-N129 HydrophobicContact CD2-CB 3.61Å; F88-N129 HydrophobicContact CE2-CB 3.38Å; F88-N129 HydrophobicContact CZ-CB 4.35Å; K125-N129 VanDerWaalsContact O-CB 3.31Å; K125-N129 WeakPolarHBondContact O-CB 3.32Å; K125-N129 PolarHBondContact O-N 2.94Å; K125-N129 PolarHBondContact O-ND2 2.91Å; K125-N129 PolarHBondContact O-OD1 3.42Å; I126-N129 PolarHBondContact O-N 3.28Å; N129-L132 PolarHBondContact O-N 3.12Å; N129-Y133 WeakPolarHBondContact O-CD2 3.48Å
130	A	98.2	Very high	98.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-44.9	175	0	0	0	0	0	111.6	F88 I126 I127 D128 L132 Y133 G134 V135 I137	F88-A130 VanDerWaalsContact CD1-CA 3.48Å; F88-A130 HydrophobicContact CD1-CB 3.7Å; F88-A130 HydrophobicContact CE1-CB 3.33Å; F88-A130 HydrophobicContact CE2-CB 4.47Å; F88-A130 HydrophobicContact CG-CB 4.39Å; F88-A130 HydrophobicContact CZ-CB 3.76Å; I126-A130 PolarHBondContact O-N 3.3Å; I127-A130 WeakPolarHBondContact O-CB 3.34Å; I127-A130 PolarHBondContact O-N 2.8Å; D128-A130 VanDerWaalsContact C-N 3.29Å; D128-A130 PolarHBondContact O-N 3.43Å; A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 2.91Å; A130-Y133 PolarHBondContact O-N 2.83Å; A130-Y133 VanDerWaalsContact O-N 3.14Å; A130-G134 PolarHBondContact O-N 2.85Å; A130-V135 CarbonylContact C-O 3.57Å; A130-V135 HydrophobicContact CB-CB 4.08Å; A130-V135 HydrophobicContact CB-CG1 4.35Å; A130-V135 WeakPolarHBondContact CB-O 3.48Å; A130-V135 PolarHBondContact O-N 3.2Å; A130-I137 HydrophobicContact CB-CD1 3.74Å; A130-I137 HydrophobicContact CB-CG1 4Å
131	G	96.8	Very high	98	Very high	5 Å²	5	29.7 Å²	29.7	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-40.4	178.1	0	0	0	0	0	112.9	I127 D128 Y133 G134 Y228 N229	I127-G131 PolarHBondContact O-N 3.39Å; D128-G131 PolarHBondContact O-N 3.25Å; D128-G131 VanDerWaalsContact O-N 3.12Å; G131-Y133 PolarHBondContact O-N 3.05Å; G131-G134 PolarHBondContact O-N 3.15Å; G131-Y228 PolarHBondContact O-OH 3.24Å; G131-N229 WeakPolarHBondContact CA-ND2 3.22Å; G131-N229 PolarHBondContact N-ND2 3.19Å; G131-N229 VanDerWaalsContact N-ND2 3.19Å
132	L	96.6	Very high	98	Very high	126 Å²	126	27.1 Å²	27.1	66%	0.66	14%	0.139	S	C	*	.	H	α-helix	trans	-54.5	-27.6	177.8	-68.4	176	0	0	0	113.5	D128 N129 A130	D128-L132 WeakPolarHBondContact O-CG 3.29Å; D128-L132 PolarHBondContact O-N 3.48Å; N129-L132 PolarHBondContact O-N 3.12Å; A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 2.91Å
133	Y	96.7	Very high	97.8	Very high	65 Å²	65	26 Å²	26	26%	0.255	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	10.9	-178.8	-62.8	-82.8	0	0	0	113.6	P85 F88 K89 R92 N129 A130 G131 V135	P85-Y133 HydrophobicContact CB-CE2 3.85Å; P85-Y133 WeakPolarHBondContact O-CE2 3.28Å; F88-Y133 HydrophobicContact CB-CD2 3.58Å; F88-Y133 HydrophobicContact CB-CE2 4.4Å; F88-Y133 HydrophobicContact CB-CG 4.04Å; K89-Y133 HydrophobicContact CB-CD1 3.82Å; K89-Y133 HydrophobicContact CB-CE1 3.54Å; K89-Y133 HydrophobicContact CB-CG 4.48Å; K89-Y133 HydrophobicContact CG-CD1 4.23Å; K89-Y133 HydrophobicContact CG-CE1 3.92Å; R92-Y133 WeakPolarHBondContact CD-O 3.33Å; N129-Y133 WeakPolarHBondContact O-CD2 3.48Å; A130-Y133 PolarHBondContact O-N 2.83Å; A130-Y133 VanDerWaalsContact O-N 3.14Å; G131-Y133 PolarHBondContact O-N 3.05Å; Y133-V135 VanDerWaalsContact C-N 3.29Å; Y133-V135 PolarHBondContact O-N 2.67Å
134	G	94.4	Very high	97.6	Very high	29 Å²	29	26.4 Å²	26.4	30%	0.299	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	22.7	179	0	0	0	0	0	114	A130 G131	A130-G134 PolarHBondContact O-N 2.85Å; G131-G134 PolarHBondContact O-N 3.15Å
135	V	97.5	Very high	97.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.124	C	C	.	.			trans	-89.5	122.8	173.9	-179.2	0	0	0	0	108.7	F88 I99 A130 Y133 N229	F88-V135 HydrophobicContact CD1-CB 4.21Å; F88-V135 HydrophobicContact CD1-CG1 4.29Å; F88-V135 HydrophobicContact CD1-CG2 4.3Å; I99-V135 HydrophobicContact CD1-CG1 4.12Å; I99-V135 HydrophobicContact CG1-CG1 3.87Å; A130-V135 CarbonylContact C-O 3.57Å; A130-V135 HydrophobicContact CB-CB 4.08Å; A130-V135 HydrophobicContact CB-CG1 4.35Å; A130-V135 WeakPolarHBondContact CB-O 3.48Å; A130-V135 PolarHBondContact O-N 3.2Å; Y133-V135 VanDerWaalsContact C-N 3.29Å; Y133-V135 PolarHBondContact O-N 2.67Å; V135-N229 PolarHBondContact O-ND2 3.08Å
136	Y	98.3	Very high	97.2	Very high	26 Å²	26	18.8 Å²	18.8	10%	0.102	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	156.2	177.1	-75.7	-95.5	0	0	0	111.9	V46 F65 N97 V98 I99 N229 L231	V46-Y136 HydrophobicContact CG2-CE1 3.78Å; F65-Y136 HydrophobicContact CE1-CD1 4.49Å; F65-Y136 AromaticContact CE1-CD2 3.68Å; F65-Y136 HydrophobicContact CE1-CD2 3.68Å; F65-Y136 HydrophobicContact CE1-CE2 4.11Å; F65-Y136 AromaticContact CE1-CG 3.89Å; F65-Y136 HydrophobicContact CE1-CG 3.89Å; N97-Y136 PolarHBondContact O-N 3.13Å; V98-Y136 CarbonylContact C-O 3.58Å; V98-Y136 VanDerWaalsContact CA-O 3.28Å; V98-Y136 WeakPolarHBondContact CA-O 3.32Å; I99-Y136 PolarHBondContact N-O 2.73Å; Y136-N229 CarbonylContact C-O 3.4Å; Y136-N229 VanDerWaalsContact CA-O 3.24Å; Y136-N229 WeakPolarHBondContact CA-O 3.45Å; Y136-L231 HydrophobicContact CD1-CB 3.98Å; Y136-L231 HydrophobicContact CD1-CD1 4.33Å; Y136-L231 HydrophobicContact CG-CB 4.4Å
137	I	98.7	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126	178.6	-58.5	-62.2	0	0	0	110	I99 L101 I127 A130 I139 N229 V230 L231	I99-I137 HydrophobicContact CB-CD1 3.98Å; I99-I137 WeakPolarHBondContact O-CA 2.97Å; L101-I137 HydrophobicContact CB-CG2 3.76Å; L101-I137 HydrophobicContact CD2-CG2 4.02Å; I127-I137 HydrophobicContact CB-CG1 4.42Å; I127-I137 HydrophobicContact CG1-CB 4.5Å; I127-I137 HydrophobicContact CG1-CG1 4.14Å; I127-I137 HydrophobicContact CG1-CG2 4.23Å; I127-I137 HydrophobicContact CG2-CG1 4.2Å; A130-I137 HydrophobicContact CB-CD1 3.74Å; A130-I137 HydrophobicContact CB-CG1 4Å; I137-I139 HydrophobicContact CG2-CG1 3.89Å; I137-N229 PolarHBondContact N-O 2.97Å; I137-V230 CarbonylContact O-C 3.37Å; I137-V230 WeakPolarHBondContact O-CA 3.42Å; I137-L231 PolarHBondContact O-N 2.02Å
138	I	98.8	Very high	96.7	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.097	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.4	159.4	-59.5	167.6	0	0	0	106	V98 I99 L101 L231 G232 E234 F281	V98-I138 HydrophobicContact CG2-CD1 4.06Å; V98-I138 HydrophobicContact CG2-CG1 4.02Å; I99-I138 PolarHBondContact O-N 3.44Å; L101-I138 PolarHBondContact N-O 2.91Å; I138-L231 HydrophobicContact CD1-CD2 4.24Å; I138-L231 HydrophobicContact CG1-CB 4.33Å; I138-L231 HydrophobicContact CG1-CD2 3.97Å; I138-L231 HydrophobicContact CG1-CG 4.41Å; I138-G232 WeakPolarHBondContact CA-O 3.31Å; I138-E234 HydrophobicContact CG2-CB 4.06Å; I138-F281 HydrophobicContact CD1-CD1 4.2Å; I138-F281 HydrophobicContact CD1-CE1 3.64Å; I138-F281 HydrophobicContact CD1-CE2 4.44Å; I138-F281 HydrophobicContact CD1-CZ 3.79Å; I138-F281 HydrophobicContact CG1-CE1 4.32Å; I138-F281 HydrophobicContact CG1-CE2 4.25Å; I138-F281 HydrophobicContact CG1-CZ 4.04Å; I138-F281 HydrophobicContact CG2-CD2 4.36Å; I138-F281 HydrophobicContact CG2-CG 4.29Å
139	I	98.8	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.6	176.8	-59.1	-175.5	0	0	0	107.9	F103 I127 I137 T220 F224 V230 G232 Y233 E234	F103-I139 HydrophobicContact CB-CG2 3.61Å; F103-I139 HydrophobicContact CD1-CG2 4.06Å; F103-I139 HydrophobicContact CG-CG2 4.14Å; I127-I139 HydrophobicContact CD1-CD1 3.99Å; I137-I139 HydrophobicContact CG2-CG1 3.89Å; I139-T220 HydrophobicContact CD1-CG2 4.07Å; I139-T220 HydrophobicContact CG2-CG2 4.05Å; I139-F224 HydrophobicContact CD1-CB 3.94Å; I139-F224 HydrophobicContact CD1-CD2 3.42Å; I139-F224 VanDerWaalsContact CD1-CD2 3.42Å; I139-F224 HydrophobicContact CD1-CE2 4.14Å; I139-F224 HydrophobicContact CD1-CG 3.88Å; I139-V230 HydrophobicContact CD1-CG1 4.09Å; I139-V230 HydrophobicContact CD1-CG2 4.38Å; I139-V230 HydrophobicContact CG1-CG1 4.26Å; I139-G232 PolarHBondContact N-O 3.23Å; I139-Y233 HydrophobicContact CB-CD1 4.19Å; I139-Y233 HydrophobicContact CD1-CD1 4.46Å; I139-Y233 HydrophobicContact CD1-CE1 4.1Å; I139-E234 PolarHBondContact O-N 3.05Å
140	D	98.6	Very high	96.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.1	-171.7	163	34.6	0	0	0	111.5	R100 L101 F103 H142 E234	R100-D140 HydrophobicContact CG-CB 3.9Å; R100-D140 IonicContact CZ-OD1 3.61Å; R100-D140 IonicContact CZ-OD2 2.63Å; R100-D140 IonicContact NE-OD2 2.73Å; R100-D140 IonicContact NH1-OD2 2.91Å; R100-D140 PolarHBondContact NH1-OD2 3.46Å; R100-D140 VanDerWaalsContact NH2-CG 3.26Å; R100-D140 IonicContact NH2-OD1 3.5Å; R100-D140 PolarHBondContact NH2-OD1 3.2Å; R100-D140 IonicContact NH2-OD2 2.93Å; R100-D140 PolarHBondContact NH2-OD2 3.41Å; L101-D140 PolarHBondContact O-N 3.16Å; F103-D140 PolarHBondContact N-O 3.47Å; D140-H142 VanDerWaalsContact C-N 3.27Å; D140-H142 PolarHBondContact O-N 3.31Å; D140-H142 PolarHBondContact OD1-N 3.31Å; D140-H142 IonicContact OD1-ND1 3.26Å; D140-H142 WeakPolarHBondContact OD2-CB 3.47Å; D140-H142 IonicContact OD2-CE1 2.78Å; D140-H142 IonicContact OD2-CG 3.72Å; D140-H142 IonicContact OD2-ND1 2.68Å; D140-H142 PolarHBondContact OD2-ND1 2.87Å; D140-E234 HydrophobicContact CB-CB 4.41Å
141	F	98.1	Very high	95.9	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.013	12%	0.123	C	C	.	.			trans	-72	88.9	161.7	-176.6	-80	0	0	0	108.4	W105 Q143 V156 F213 Y216 W217 E234 I236 N237	W105-F141 HydrophobicContact CB-CE2 4.27Å; W105-F141 AromaticContact CD2-CE2 3.91Å; W105-F141 HydrophobicContact CD2-CE2 3.91Å; W105-F141 HydrophobicContact CD2-CZ 4.3Å; W105-F141 AromaticContact CE3-CE2 3.19Å; W105-F141 HydrophobicContact CE3-CE2 3.19Å; W105-F141 AromaticContact CE3-CZ 3.22Å; W105-F141 HydrophobicContact CE3-CZ 3.22Å; W105-F141 HydrophobicContact CG-CE2 4.41Å; W105-F141 AromaticContact CZ3-CE2 3.6Å; W105-F141 HydrophobicContact CZ3-CE2 3.6Å; W105-F141 AromaticContact CZ3-CZ 3.51Å; W105-F141 HydrophobicContact CZ3-CZ 3.51Å; F141-Q143 HydrophobicContact CE1-CB 4.37Å; F141-Q143 HydrophobicContact CE1-CG 4.39Å; F141-V156 HydrophobicContact CZ-CG1 4.02Å; F141-F213 AromaticContact CE1-CE1 3.85Å; F141-F213 HydrophobicContact CE1-CE1 3.85Å; F141-F213 HydrophobicContact CE2-CD1 4.08Å; F141-F213 AromaticContact CE2-CE1 3.94Å; F141-F213 HydrophobicContact CE2-CE1 3.94Å; F141-F213 HydrophobicContact CZ-CD1 4.05Å; F141-F213 AromaticContact CZ-CE1 3.43Å; F141-F213 HydrophobicContact CZ-CE1 3.43Å; F141-F213 VanDerWaalsContact CZ-CE1 3.43Å; F141-F213 HydrophobicContact CZ-CZ 4.25Å; F141-Y216 HydrophobicContact CB-CE1 4.3Å; F141-Y216 AromaticContact CD2-CD1 3.92Å; F141-Y216 HydrophobicContact CD2-CD1 3.92Å; F141-Y216 HydrophobicContact CD2-CD2 4.1Å; F141-Y216 AromaticContact CD2-CE1 3.65Å; F141-Y216 HydrophobicContact CD2-CE1 3.65Å; F141-Y216 AromaticContact CD2-CE2 3.82Å; F141-Y216 HydrophobicContact CD2-CE2 3.82Å; F141-Y216 HydrophobicContact CD2-CG 4.16Å; F141-Y216 AromaticContact CD2-CZ 3.58Å; F141-Y216 HydrophobicContact CE2-CD1 4.49Å; F141-Y216 HydrophobicContact CE2-CD2 4.16Å; F141-Y216 HydrophobicContact CE2-CE2 4.21Å; F141-Y216 HydrophobicContact CE2-CG 4.32Å; F141-Y216 HydrophobicContact CG-CE1 4.47Å; F141-W217 HydrophobicContact CB-CZ2 3.98Å; F141-E234 PolarHBondContact N-O 3.4Å; F141-I236 HydrophobicContact CD1-CB 4.22Å; F141-I236 HydrophobicContact CD1-CG1 3.96Å; F141-I236 HydrophobicContact CE1-CD1 4.4Å; F141-I236 HydrophobicContact CE1-CG1 4.22Å; F141-N237 PolarHBondContact O-N 2.91Å
142	H	97.6	Very high	95.4	Very high	28 Å²	28	23.2 Å²	23.2	13%	0.13	13%	0.125	C	C	.	.			trans	-84.9	132.5	-176.1	-151.2	86.1	0	0	0	111.8	V71 K73 D140 D144 N237	V71-H142 HydrophobicContact CG1-CB 3.92Å; K73-H142 VanDerWaalsContact CE-CD2 3.43Å; K73-H142 WeakPolarHBondContact CE-CD2 3.28Å; K73-H142 WeakPolarHBondContact CE-NE2 3.13Å; K73-H142 PolarHBondContact NZ-NE2 3.16Å; D140-H142 VanDerWaalsContact C-N 3.27Å; D140-H142 PolarHBondContact O-N 3.31Å; D140-H142 PolarHBondContact OD1-N 3.31Å; D140-H142 IonicContact OD1-ND1 3.26Å; D140-H142 WeakPolarHBondContact OD2-CB 3.47Å; D140-H142 IonicContact OD2-CE1 2.78Å; D140-H142 IonicContact OD2-CG 3.72Å; D140-H142 IonicContact OD2-ND1 2.68Å; D140-H142 PolarHBondContact OD2-ND1 2.87Å; H142-D144 IonicContact CD2-OD2 3.9Å; H142-D144 PolarHBondContact CD2-OD2 3.31Å; H142-D144 IonicContact NE2-OD1 3.43Å; H142-D144 IonicContact NE2-OD2 3.17Å; H142-N237 VanDerWaalsContact CE1-CG 3.45Å; H142-N237 PolarHBondContact CE1-OD1 3.22Å; H142-N237 PolarHBondContact ND1-OD1 3.24Å
143	Q	95.4	Very high	94.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.			trans	-147.1	144.3	169.9	71.1	78.3	30.4	0	0	111.3	F141 A155 Y190 I236 N237 E238	F141-Q143 HydrophobicContact CE1-CB 4.37Å; F141-Q143 HydrophobicContact CE1-CG 4.39Å; Q143-A155 VanDerWaalsContact CA-CB 3.49Å; Q143-A155 HydrophobicContact CB-CB 3.52Å; Q143-Y190 PolarHBondContact NE2-OH 3.33Å; Q143-Y190 PolarHBondContact OE1-OH 3.28Å; Q143-I236 HydrophobicContact CG-CD1 4.31Å; Q143-I236 HydrophobicContact CG-CG1 4.03Å; Q143-N237 PolarHBondContact NE2-O 3.07Å; Q143-N237 PolarHBondContact O-ND2 3.1Å; Q143-E238 PolarHBondContact NE2-O 2.95Å
144	D	94.1	Very high	94	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.053	11%	0.108	C	C	.	.	S	Bend	trans	-130	115.9	167.9	-51.4	-100.2	0	0	0	106.6	K73 H142 L146 A152 W186	K73-D144 VanDerWaalsContact CD-OD2 3.31Å; K73-D144 WeakPolarHBondContact CD-OD2 3.45Å; K73-D144 VanDerWaalsContact CE-OD2 3.23Å; K73-D144 WeakPolarHBondContact CE-OD2 3.37Å; K73-D144 IonicContact NZ-OD1 3.8Å; K73-D144 PolarHBondContact NZ-OD1 2.81Å; K73-D144 IonicContact NZ-OD2 2.82Å; K73-D144 PolarHBondContact NZ-OD2 2.88Å; H142-D144 IonicContact CD2-OD2 3.9Å; H142-D144 PolarHBondContact CD2-OD2 3.31Å; H142-D144 IonicContact NE2-OD1 3.43Å; H142-D144 IonicContact NE2-OD2 3.17Å; D144-L146 PolarHBondContact O-N 2.96Å; D144-L146 VanDerWaalsContact O-N 3.14Å; D144-A152 WeakPolarHBondContact O-CB 3.23Å; D144-W186 HydrophobicContact CB-CE3 4.06Å; D144-W186 HydrophobicContact CB-CH2 4.02Å; D144-W186 HydrophobicContact CB-CZ3 3.55Å
145	G	92.5	Very high	93.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	61.8	19.7	-178.7	0	0	0	0	0	114.5	S147 A152 Y190	G145-S147 PolarHBondContact O-N 3.39Å; G145-A152 VanDerWaalsContact C-CB 3.45Å; G145-A152 VanDerWaalsContact CA-CB 3.46Å; G145-A152 VanDerWaalsContact O-CB 3.3Å; G145-A152 WeakPolarHBondContact O-CB 3.26Å; G145-Y190 PolarHBondContact N-OH 3.49Å
146	L	95.1	Very high	93.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	65.6	-53.3	176.4	-170.6	66.6	0	0	0	116.3	D144 L150 A155 V156 M161 A198 F199 I202	D144-L146 PolarHBondContact O-N 2.96Å; D144-L146 VanDerWaalsContact O-N 3.14Å; L146-L150 HydrophobicContact CB-CD1 4.13Å; L146-L150 HydrophobicContact CD2-CD1 4.14Å; L146-A155 WeakPolarHBondContact O-CB 3.44Å; L146-V156 HydrophobicContact CD1-CB 4.47Å; L146-V156 HydrophobicContact CD1-CG1 3.75Å; L146-V156 HydrophobicContact CD1-CG2 3.84Å; L146-V156 HydrophobicContact CG-CG2 3.8Å; L146-V156 WeakPolarHBondContact O-CG2 3.46Å; L146-V156 PolarHBondContact O-N 3.21Å; L146-M161 HydrophobicContact CD2-CE 3.9Å; L146-M161 HydrophobicContact CD2-SD 3.69Å; L146-M161 HydrophobicContact CG-CE 4.48Å; L146-M161 HydrophobicContact CG-SD 3.97Å; L146-A198 HydrophobicContact CD2-CB 3.8Å; L146-F199 HydrophobicContact CB-CE1 4.38Å; L146-F199 HydrophobicContact CB-CE2 3.85Å; L146-F199 HydrophobicContact CB-CZ 3.62Å; L146-F199 HydrophobicContact CD1-CE1 4.27Å; L146-F199 HydrophobicContact CD1-CZ 4.32Å; L146-F199 HydrophobicContact CD2-CE2 4.45Å; L146-F199 HydrophobicContact CD2-CZ 4.48Å; L146-F199 HydrophobicContact CG-CZ 4.36Å; L146-I202 HydrophobicContact CD1-CD1 3.98Å; L146-I202 HydrophobicContact CD2-CD1 3.96Å
147	S	94.7	Very high	93.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	9%	0.094	C	C	.	.			trans	-156.7	154.3	-171.6	-171.3	0	0	0	0	112.8	G145 R149 L150 A152 V156	G145-S147 PolarHBondContact O-N 3.39Å; S147-R149 PolarHBondContact O-N 3.04Å; S147-R149 VanDerWaalsContact O-N 3.1Å; S147-R149 PolarHBondContact OG-N 3.45Å; S147-L150 WeakPolarHBondContact O-CA 3.29Å; S147-L150 PolarHBondContact O-N 2.88Å; S147-A152 WeakPolarHBondContact O-CB 3.39Å; S147-A152 PolarHBondContact O-N 2.79Å; S147-V156 PolarHBondContact OG-O 3.22Å
148	K	92.7	Very high	93.2	Very high	100 Å²	100	23.1 Å²	23.1	44%	0.435	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-53.5	-26.7	166.3	-80.2	-173	179.8	155.2	0	113.8	L150 G151 A152 D154 Y158	K148-L150 PolarHBondContact O-N 2.84Å; K148-L150 VanDerWaalsContact O-N 3.13Å; K148-G151 PolarHBondContact O-N 2.92Å; K148-G151 VanDerWaalsContact O-N 3.09Å; K148-A152 WeakPolarHBondContact CA-O 3.36Å; K148-A152 WeakPolarHBondContact CG-O 3.48Å; K148-D154 WeakPolarHBondContact CD-OD1 3.37Å; K148-D154 WeakPolarHBondContact CE-OD1 3.37Å; K148-D154 WeakPolarHBondContact CE-OD2 3.19Å; K148-D154 WeakPolarHBondContact CG-OD1 3.24Å; K148-D154 IonicContact NZ-OD1 3.17Å; K148-D154 PolarHBondContact NZ-OD1 2.79Å; K148-D154 VanDerWaalsContact NZ-OD1 3.17Å; K148-D154 IonicContact NZ-OD2 2.59Å; K148-D154 PolarHBondContact NZ-OD2 2.78Å; K148-Y158 VanDerWaalsContact CB-OH 3.29Å; K148-Y158 WeakPolarHBondContact CB-OH 3.5Å
149	R	93.6	Very high	93.1	Very high	33 Å²	33	23.7 Å²	23.7	13%	0.125	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-58.4	-24.2	173.2	-163.2	172.8	79.8	-178	-3.3	112.8	S147 Y158 M161 D162 E194	S147-R149 PolarHBondContact O-N 3.04Å; S147-R149 VanDerWaalsContact O-N 3.1Å; S147-R149 PolarHBondContact OG-N 3.45Å; R149-Y158 HydrophobicContact CB-CD1 4.04Å; R149-Y158 HydrophobicContact CB-CE1 3.69Å; R149-Y158 HydrophobicContact CG-CD1 4.49Å; R149-Y158 HydrophobicContact CG-CE1 4.24Å; R149-M161 HydrophobicContact CB-CE 4.45Å; R149-M161 VanDerWaalsContact CZ-CB 3.47Å; R149-M161 PolarHBondContact NH1-O 3.23Å; R149-M161 PolarHBondContact NH2-O 3.36Å; R149-D162 IonicContact NH1-OD1 2.62Å; R149-D162 PolarHBondContact NH1-OD1 2.79Å; R149-E194 IonicContact NE-OE1 3.75Å
150	L	95	Very high	93	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-109.4	24.7	-178.7	-56.5	174.2	0	0	0	111.8	L146 S147 K148 A152 M161 Y173 T189 E194 A198	L146-L150 HydrophobicContact CB-CD1 4.13Å; L146-L150 HydrophobicContact CD2-CD1 4.14Å; S147-L150 WeakPolarHBondContact O-CA 3.29Å; S147-L150 PolarHBondContact O-N 2.88Å; K148-L150 PolarHBondContact O-N 2.84Å; K148-L150 VanDerWaalsContact O-N 3.13Å; L150-A152 PolarHBondContact O-N 3.13Å; L150-M161 HydrophobicContact CD1-CE 3.69Å; L150-M161 HydrophobicContact CD2-CE 4.43Å; L150-M161 HydrophobicContact CG-CE 3.91Å; L150-Y173 VanDerWaalsContact C-CE2 3.44Å; L150-Y173 HydrophobicContact CB-CD2 4.39Å; L150-Y173 WeakPolarHBondContact O-CD2 3.41Å; L150-Y173 WeakPolarHBondContact O-CE2 3.47Å; L150-T189 WeakPolarHBondContact O-CG2 3.46Å; L150-E194 HydrophobicContact CD2-CB 3.85Å; L150-E194 HydrophobicContact CD2-CG 3.6Å; L150-A198 HydrophobicContact CD1-CB 4.25Å
151	G	90.3	Very high	92.9	Very high	33 Å²	33	23.7 Å²	23.7	34%	0.34	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	9.7	-179.3	0	0	0	0	0	114.9	K148 Y173	K148-G151 PolarHBondContact O-N 2.92Å; K148-G151 VanDerWaalsContact O-N 3.09Å; G151-Y173 WeakPolarHBondContact CA-OH 3.2Å
152	A	86.5	Confident	92.8	Very high	13 Å²	13	28.9 Å²	28.9	11%	0.107	15%	0.146	C	C	.	.			trans	-92.9	-179.8	-177.1	0	0	0	0	0	112.7	D144 G145 S147 K148 L150	D144-A152 WeakPolarHBondContact O-CB 3.23Å; G145-A152 VanDerWaalsContact C-CB 3.45Å; G145-A152 VanDerWaalsContact CA-CB 3.46Å; G145-A152 VanDerWaalsContact O-CB 3.3Å; G145-A152 WeakPolarHBondContact O-CB 3.26Å; S147-A152 WeakPolarHBondContact O-CB 3.39Å; S147-A152 PolarHBondContact O-N 2.79Å; K148-A152 WeakPolarHBondContact CA-O 3.36Å; K148-A152 WeakPolarHBondContact CG-O 3.48Å; L150-A152 PolarHBondContact O-N 3.13Å
153	I	82	Confident	92.8	Very high	74 Å²	74	31 Å²	31	38%	0.379	16%	0.155	S	C	.	.			trans	-74.4	161.2	173.9	-56.3	172.6	0	0	0	108.9	K73 A155	K73-I153 HydrophobicContact CB-CG2 3.64Å; K73-I153 HydrophobicContact CD-CD1 4.28Å; K73-I153 WeakPolarHBondContact O-CG2 3.38Å; I153-A155 PolarHBondContact O-N 3.43Å
154	D	80.6	Confident	92.9	Very high	34 Å²	34	31.1 Å²	31.1	18%	0.182	16%	0.155	C	C	.	.	S	Bend	trans	-58.5	105.9	173.8	-87.5	-19.7	0	0	0	111.3	F77 I106 K148	F77-D154 HydrophobicContact CE1-CB 4.1Å; F77-D154 HydrophobicContact CZ-CB 4.37Å; I106-D154 VanDerWaalsContact CD1-CA 3.44Å; I106-D154 HydrophobicContact CD1-CB 3.35Å; K148-D154 WeakPolarHBondContact CD-OD1 3.37Å; K148-D154 WeakPolarHBondContact CE-OD1 3.37Å; K148-D154 WeakPolarHBondContact CE-OD2 3.19Å; K148-D154 WeakPolarHBondContact CG-OD1 3.24Å; K148-D154 IonicContact NZ-OD1 3.17Å; K148-D154 PolarHBondContact NZ-OD1 2.79Å; K148-D154 VanDerWaalsContact NZ-OD1 3.17Å; K148-D154 IonicContact NZ-OD2 2.59Å; K148-D154 PolarHBondContact NZ-OD2 2.78Å
155	A	88.2	Confident	93	Very high	6 Å²	6	38.6 Å²	38.6	5%	0.05	19%	0.187	C	C	.	.	S	Bend	trans	-122.8	-56.6	168	0	0	0	0	0	112.8	I106 Q143 L146 I153	I106-A155 VanDerWaalsContact CD1-C 3.48Å; I106-A155 VanDerWaalsContact CD1-N 3.28Å; I106-A155 WeakPolarHBondContact CG1-O 3.32Å; Q143-A155 VanDerWaalsContact CA-CB 3.49Å; Q143-A155 HydrophobicContact CB-CB 3.52Å; L146-A155 WeakPolarHBondContact O-CB 3.44Å; I153-A155 PolarHBondContact O-N 3.43Å
156	V	94.7	Very high	93.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.206	C	C	.	.	S	Bend	trans	-114.1	148.1	172.2	-41.3	0	0	0	0	112.4	W105 F141 L146 S147 F160 M161	W105-V156 HydrophobicContact CE3-CB 4.07Å; W105-V156 HydrophobicContact CE3-CG1 3.58Å; W105-V156 HydrophobicContact CZ3-CG1 4.12Å; F141-V156 HydrophobicContact CZ-CG1 4.02Å; L146-V156 HydrophobicContact CD1-CB 4.47Å; L146-V156 HydrophobicContact CD1-CG1 3.75Å; L146-V156 HydrophobicContact CD1-CG2 3.84Å; L146-V156 HydrophobicContact CG-CG2 3.8Å; L146-V156 WeakPolarHBondContact O-CG2 3.46Å; L146-V156 PolarHBondContact O-N 3.21Å; S147-V156 PolarHBondContact OG-O 3.22Å; V156-F160 HydrophobicContact CB-CD1 4.04Å; V156-F160 HydrophobicContact CG2-CD1 3.54Å; V156-F160 HydrophobicContact CG2-CE1 4.04Å; V156-M161 HydrophobicContact CG2-CG 3.88Å; V156-M161 HydrophobicContact CG2-SD 3.67Å
157	T	94.3	Very high	93.3	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.055	21%	0.208	C	C	.	.			trans	-72.4	157	-173.7	55.4	0	0	0	0	113.7	I106 K109 W159 F160 M161	I106-T157 HydrophobicContact CB-CG2 4.15Å; I106-T157 HydrophobicContact CG1-CG2 3.67Å; I106-T157 HydrophobicContact CG2-CG2 4.42Å; K109-T157 VanDerWaalsContact O-CG2 3.29Å; K109-T157 WeakPolarHBondContact O-CG2 3.35Å; T157-W159 VanDerWaalsContact C-N 3.31Å; T157-W159 PolarHBondContact O-N 3.19Å; T157-W159 PolarHBondContact OG1-NE1 3.37Å; T157-F160 PolarHBondContact O-N 3.12Å; T157-M161 WeakPolarHBondContact O-CG 3.49Å; T157-M161 PolarHBondContact O-N 3.29Å; T157-M161 VanDerWaalsContact O-N 3.12Å
158	Y	95.1	Very high	93.4	Very high	122 Å²	122	47.1 Å²	47.1	48%	0.478	23%	0.229	S	C	.	.	H	α-helix	trans	-59.1	-39.5	173.9	-73.4	-70	0	0	0	113	K148 R149 F160 M161 D162	K148-Y158 VanDerWaalsContact CB-OH 3.29Å; K148-Y158 WeakPolarHBondContact CB-OH 3.5Å; R149-Y158 HydrophobicContact CB-CD1 4.04Å; R149-Y158 HydrophobicContact CB-CE1 3.69Å; R149-Y158 HydrophobicContact CG-CD1 4.49Å; R149-Y158 HydrophobicContact CG-CE1 4.24Å; Y158-F160 PolarHBondContact O-N 2.99Å; Y158-M161 CarbonylContact O-C 3.59Å; Y158-M161 WeakPolarHBondContact O-CA 3.24Å; Y158-M161 WeakPolarHBondContact O-CB 3.41Å; Y158-M161 PolarHBondContact O-N 3.26Å; Y158-D162 PolarHBondContact O-N 2.9Å
159	W	96.3	Very high	93.6	Very high	30 Å²	30	51.7 Å²	51.7	11%	0.114	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-35.5	-179.8	69.9	-106.9	0	0	0	112.2	W105 K109 H111 E112 T157 Y212	W105-W159 HydrophobicContact CZ2-CH2 4.44Å; K109-W159 HydrophobicContact CB-CZ2 3.98Å; K109-W159 PolarHBondContact O-NE1 3.04Å; H111-W159 VanDerWaalsContact C-NE1 3.33Å; E112-W159 HydrophobicContact CB-CD2 3.68Å; E112-W159 HydrophobicContact CB-CE3 3.56Å; E112-W159 HydrophobicContact CB-CG 4.15Å; E112-W159 HydrophobicContact CB-CZ3 4.08Å; E112-W159 HydrophobicContact CG-CD2 4.35Å; E112-W159 HydrophobicContact CG-CE3 3.72Å; E112-W159 HydrophobicContact CG-CZ3 3.83Å; T157-W159 VanDerWaalsContact C-N 3.31Å; T157-W159 PolarHBondContact O-N 3.19Å; T157-W159 PolarHBondContact OG1-NE1 3.37Å; W159-Y212 AromaticContact CH2-CD1 3.82Å; W159-Y212 HydrophobicContact CH2-CD1 3.82Å; W159-Y212 HydrophobicContact CH2-CE1 4.33Å; W159-Y212 AromaticContact CZ3-CD1 3.52Å; W159-Y212 HydrophobicContact CZ3-CD1 3.52Å; W159-Y212 AromaticContact CZ3-CE1 3.63Å; W159-Y212 HydrophobicContact CZ3-CE1 3.63Å; W159-Y212 HydrophobicContact CZ3-CG 4.31Å
160	F	97.3	Very high	93.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.8	-45.4	174.8	168.3	-97.1	0	0	0	109.9	W105 V156 T157 Y158 D162 K163 I164 I202 L209 Y212 F213	W105-F160 AromaticContact CH2-CD2 3.96Å; W105-F160 HydrophobicContact CH2-CD2 3.96Å; W105-F160 AromaticContact CH2-CE2 3.95Å; W105-F160 HydrophobicContact CH2-CE2 3.95Å; W105-F160 HydrophobicContact CH2-CG 4.47Å; W105-F160 HydrophobicContact CH2-CZ 4.44Å; W105-F160 HydrophobicContact CZ2-CD2 4.32Å; W105-F160 HydrophobicContact CZ3-CE2 4.45Å; V156-F160 HydrophobicContact CB-CD1 4.04Å; V156-F160 HydrophobicContact CG2-CD1 3.54Å; V156-F160 HydrophobicContact CG2-CE1 4.04Å; T157-F160 PolarHBondContact O-N 3.12Å; Y158-F160 PolarHBondContact O-N 2.99Å; F160-D162 PolarHBondContact O-N 2.72Å; F160-K163 VanDerWaalsContact O-CB 3.29Å; F160-K163 WeakPolarHBondContact O-CB 3.29Å; F160-K163 WeakPolarHBondContact O-CG 3.45Å; F160-K163 PolarHBondContact O-N 2.92Å; F160-I164 HydrophobicContact CE1-CD1 3.99Å; F160-I164 HydrophobicContact CZ-CD1 4.4Å; F160-I202 HydrophobicContact CE1-CD1 4.27Å; F160-I202 HydrophobicContact CZ-CD1 4.25Å; F160-I202 HydrophobicContact CZ-CG1 4.21Å; F160-L209 HydrophobicContact CD2-CD2 4.37Å; F160-L209 HydrophobicContact CE2-CD2 3.58Å; F160-L209 HydrophobicContact CZ-CD2 3.78Å; F160-Y212 HydrophobicContact CD2-CD2 4.17Å; F160-Y212 HydrophobicContact CD2-CG 4.02Å; F160-Y212 HydrophobicContact CE2-CD2 4.14Å; F160-Y212 HydrophobicContact CE2-CG 4.24Å; F160-F213 HydrophobicContact CE2-CE2 4.1Å; F160-F213 HydrophobicContact CZ-CD2 4.49Å; F160-F213 AromaticContact CZ-CE2 3.67Å; F160-F213 HydrophobicContact CZ-CE2 3.67Å; F160-F213 HydrophobicContact CZ-CZ 4.3Å
161	M	96.7	Very high	93.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-34	177.5	-70.2	-57	-74.9	0	0	112	L146 R149 L150 V156 T157 Y158 K163 I164 A198	L146-M161 HydrophobicContact CD2-CE 3.9Å; L146-M161 HydrophobicContact CD2-SD 3.69Å; L146-M161 HydrophobicContact CG-CE 4.48Å; L146-M161 HydrophobicContact CG-SD 3.97Å; R149-M161 HydrophobicContact CB-CE 4.45Å; R149-M161 VanDerWaalsContact CZ-CB 3.47Å; R149-M161 PolarHBondContact NH1-O 3.23Å; R149-M161 PolarHBondContact NH2-O 3.36Å; L150-M161 HydrophobicContact CD1-CE 3.69Å; L150-M161 HydrophobicContact CD2-CE 4.43Å; L150-M161 HydrophobicContact CG-CE 3.91Å; V156-M161 HydrophobicContact CG2-CG 3.88Å; V156-M161 HydrophobicContact CG2-SD 3.67Å; T157-M161 WeakPolarHBondContact O-CG 3.49Å; T157-M161 PolarHBondContact O-N 3.29Å; T157-M161 VanDerWaalsContact O-N 3.12Å; Y158-M161 CarbonylContact O-C 3.59Å; Y158-M161 WeakPolarHBondContact O-CA 3.24Å; Y158-M161 WeakPolarHBondContact O-CB 3.41Å; Y158-M161 PolarHBondContact O-N 3.26Å; M161-K163 PolarHBondContact O-N 2.9Å; M161-I164 WeakPolarHBondContact O-CB 3.28Å; M161-I164 PolarHBondContact O-N 2.96Å; M161-I164 HydrophobicContact SD-CD1 4.04Å; M161-A198 HydrophobicContact CE-CB 4.36Å
162	D	96.5	Very high	94.1	Very high	113 Å²	113	59.2 Å²	59.2	60%	0.604	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.2	177.7	-66.1	-22	0	0	0	113.7	R149 Y158 F160 I164	R149-D162 IonicContact NH1-OD1 2.62Å; R149-D162 PolarHBondContact NH1-OD1 2.79Å; Y158-D162 PolarHBondContact O-N 2.9Å; F160-D162 PolarHBondContact O-N 2.72Å; D162-I164 VanDerWaalsContact C-N 3.3Å
163	K	97.3	Very high	94.6	Very high	72 Å²	72	60.2 Å²	60.2	31%	0.313	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.6	170.8	-48.8	-58	175.1	171.3	0	112.5	E112 F160 M161 L209 Y212	E112-K163 WeakPolarHBondContact OE1-CE 3.4Å; E112-K163 IonicContact OE1-NZ 3.55Å; E112-K163 PolarHBondContact OE1-NZ 2.82Å; E112-K163 WeakPolarHBondContact OE2-CE 3.39Å; E112-K163 IonicContact OE2-NZ 2.8Å; E112-K163 PolarHBondContact OE2-NZ 2.84Å; F160-K163 VanDerWaalsContact O-CB 3.29Å; F160-K163 WeakPolarHBondContact O-CB 3.29Å; F160-K163 WeakPolarHBondContact O-CG 3.45Å; F160-K163 PolarHBondContact O-N 2.92Å; M161-K163 PolarHBondContact O-N 2.9Å; K163-L209 HydrophobicContact CB-CD2 3.98Å; K163-Y212 HydrophobicContact CB-CE2 4.32Å; K163-Y212 WeakPolarHBondContact CD-OH 3.4Å; K163-Y212 WeakPolarHBondContact CE-OH 3.31Å; K163-Y212 HydrophobicContact CG-CE2 3.91Å
164	I	97.6	Very high	95.3	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.015	27%	0.265	C	S	.	.	S	Bend	trans	-87.8	111.5	176.9	-52.5	-180	0	0	0	108.2	F160 M161 D162 R166 A198 I202 L209	F160-I164 HydrophobicContact CE1-CD1 3.99Å; F160-I164 HydrophobicContact CZ-CD1 4.4Å; M161-I164 WeakPolarHBondContact O-CB 3.28Å; M161-I164 PolarHBondContact O-N 2.96Å; M161-I164 HydrophobicContact SD-CD1 4.04Å; D162-I164 VanDerWaalsContact C-N 3.3Å; I164-R166 PolarHBondContact O-N 3.49Å; I164-R166 VanDerWaalsContact O-N 3.15Å; I164-A198 HydrophobicContact CD1-CB 4.11Å; I164-A198 HydrophobicContact CG2-CB 4.41Å; I164-I202 HydrophobicContact CD1-CD1 4.5Å; I164-I202 HydrophobicContact CD1-CG1 4.39Å; I164-L209 HydrophobicContact CD1-CD1 4.46Å; I164-L209 HydrophobicContact CG1-CD1 3.9Å; I164-L209 HydrophobicContact CG1-CD2 3.83Å
165	K	96.6	Very high	96	Very high	166 Å²	166	61.2 Å²	61.2	72%	0.722	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-54.3	122	174.3	-179.8	179.1	178.8	180	0	109.4	H197	K165-H197 PolarHBondContact O-NE2 3Å
166	R	96.6	Very high	96.4	Very high	104 Å²	104	63.9 Å²	63.9	39%	0.392	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.8	149	178.8	-61.5	-168.3	75.9	-168.2	-1.9	111.4	I164 Q172 E194	I164-R166 PolarHBondContact O-N 3.49Å; I164-R166 VanDerWaalsContact O-N 3.15Å; R166-Q172 VanDerWaalsContact CZ-CD 3.4Å; R166-Q172 VanDerWaalsContact NH1-OE1 3.09Å; R166-Q172 VanDerWaalsContact NH2-OE1 3.07Å; R166-E194 IonicContact CZ-OE1 3.46Å; R166-E194 IonicContact CZ-OE2 3.78Å; R166-E194 IonicContact NE-OE1 3.5Å; R166-E194 PolarHBondContact NE-OE1 3.28Å; R166-E194 IonicContact NE-OE2 3.94Å; R166-E194 IonicContact NH2-OE1 3.25Å; R166-E194 PolarHBondContact NH2-OE1 3.37Å; R166-E194 IonicContact NH2-OE2 2.87Å; R166-E194 PolarHBondContact NH2-OE2 2.97Å
167	P	97.1	Very high	96.4	Very high	7 Å²	7	66.2 Å²	66.2	5%	0.045	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-67.2	168.6	170.2	33	-37.4	0	0	0	110.8	F171 Q172 Y193 E194	P167-F171 HydrophobicContact CB-CB 4.22Å; P167-Q172 HydrophobicContact CG-CG 4.01Å; P167-Q172 PolarHBondContact O-NE2 3.01Å; P167-Y193 HydrophobicContact CB-CD1 3.86Å; P167-Y193 HydrophobicContact CB-CE1 3.6Å; P167-Y193 HydrophobicContact CG-CD1 4.12Å; P167-Y193 HydrophobicContact CG-CE1 4.33Å; P167-E194 HydrophobicContact CG-CB 4.02Å; P167-E194 HydrophobicContact CG-CG 3.85Å
168	P	97.2	Very high	96.3	Very high	69 Å²	69	72.5 Å²	72.5	45%	0.448	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-48.9	144.7	170.9	-26.8	35.2	0	0	0	111.8	F170 F171 Q172	P168-F170 HydrophobicContact CB-CD1 3.82Å; P168-F170 HydrophobicContact CB-CE1 3.25Å; P168-F170 HydrophobicContact CB-CE2 4.41Å; P168-F170 HydrophobicContact CB-CZ 3.6Å; P168-F170 HydrophobicContact CG-CE1 4.27Å; P168-F170 HydrophobicContact CG-CZ 4.2Å; P168-F170 PolarHBondContact O-N 3.14Å; P168-F171 HydrophobicContact CB-CD2 4.41Å; P168-F171 HydrophobicContact CG-CD2 4.38Å; P168-F171 PolarHBondContact O-N 3.02Å; P168-Q172 PolarHBondContact O-N 3.37Å
169	Y	96.5	Very high	96.1	Very high	197 Å²	197	74.2 Å²	74.2	77%	0.773	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-49.7	-40	-169.7	177.8	-106	0	0	0	114.4	F171 Q172	Y169-F171 VanDerWaalsContact C-N 3.25Å; Y169-F171 PolarHBondContact O-N 3.42Å; Y169-Q172 WeakPolarHBondContact O-CB 3.42Å; Y169-Q172 PolarHBondContact O-N 3.17Å; Y169-Q172 VanDerWaalsContact O-N 3.16Å
170	F	95.9	Very high	95.9	Very high	134 Å²	134	77.4 Å²	77.4	59%	0.588	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-70	-16.2	-179.8	55.7	-88.2	0	0	0	114.8	P168	P168-F170 HydrophobicContact CB-CD1 3.82Å; P168-F170 HydrophobicContact CB-CE1 3.25Å; P168-F170 HydrophobicContact CB-CE2 4.41Å; P168-F170 HydrophobicContact CB-CZ 3.6Å; P168-F170 HydrophobicContact CG-CE1 4.27Å; P168-F170 HydrophobicContact CG-CZ 4.2Å; P168-F170 PolarHBondContact O-N 3.14Å
171	F	96.9	Very high	95.5	Very high	55 Å²	55	78.7 Å²	78.7	24%	0.241	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-105.6	5	174.2	-66.7	-44.9	0	0	0	112.9	P167 P168 Y169 W175 Y193	P167-F171 HydrophobicContact CB-CB 4.22Å; P168-F171 HydrophobicContact CB-CD2 4.41Å; P168-F171 HydrophobicContact CG-CD2 4.38Å; P168-F171 PolarHBondContact O-N 3.02Å; Y169-F171 VanDerWaalsContact C-N 3.25Å; Y169-F171 PolarHBondContact O-N 3.42Å; F171-W175 AromaticContact CD1-CD2 3.68Å; F171-W175 HydrophobicContact CD1-CD2 3.68Å; F171-W175 AromaticContact CD1-CE2 3.83Å; F171-W175 AromaticContact CD1-CE3 3.6Å; F171-W175 HydrophobicContact CD1-CE3 3.6Å; F171-W175 HydrophobicContact CD1-CG 4.4Å; F171-W175 AromaticContact CD1-CH2 3.83Å; F171-W175 HydrophobicContact CD1-CH2 3.83Å; F171-W175 AromaticContact CD1-CZ2 3.92Å; F171-W175 HydrophobicContact CD1-CZ2 3.92Å; F171-W175 AromaticContact CD1-CZ3 3.69Å; F171-W175 HydrophobicContact CD1-CZ3 3.69Å; F171-W175 HydrophobicContact CE1-CD2 4.28Å; F171-W175 AromaticContact CE1-CE2 3.97Å; F171-W175 HydrophobicContact CE1-CE3 4.25Å; F171-W175 AromaticContact CE1-CH2 3.6Å; F171-W175 HydrophobicContact CE1-CH2 3.6Å; F171-W175 AromaticContact CE1-CZ2 3.63Å; F171-W175 HydrophobicContact CE1-CZ2 3.63Å; F171-W175 AromaticContact CE1-CZ3 3.94Å; F171-W175 HydrophobicContact CE1-CZ3 3.94Å; F171-Y193 HydrophobicContact CB-CD1 3.7Å; F171-Y193 HydrophobicContact CB-CD2 4.49Å; F171-Y193 HydrophobicContact CB-CE1 4.12Å; F171-Y193 HydrophobicContact CB-CG 3.94Å; F171-Y193 HydrophobicContact CD1-CD2 4.48Å; F171-Y193 HydrophobicContact CG-CD1 4.37Å; F171-Y193 HydrophobicContact CG-CD2 4.41Å; F171-Y193 HydrophobicContact CG-CG 4.33Å
172	Q	97	Very high	95	Very high	34 Å²	34	81.8 Å²	81.8	16%	0.159	40%	0.4	C	S	.	.	S	Bend	trans	-68.3	155.9	172.8	-70.5	177	12.6	0	0	110	R166 P167 P168 Y169 W175 E194	R166-Q172 VanDerWaalsContact CZ-CD 3.4Å; R166-Q172 VanDerWaalsContact NH1-OE1 3.09Å; R166-Q172 VanDerWaalsContact NH2-OE1 3.07Å; P167-Q172 HydrophobicContact CG-CG 4.01Å; P167-Q172 PolarHBondContact O-NE2 3.01Å; P168-Q172 PolarHBondContact O-N 3.37Å; Y169-Q172 WeakPolarHBondContact O-CB 3.42Å; Y169-Q172 PolarHBondContact O-N 3.17Å; Y169-Q172 VanDerWaalsContact O-N 3.16Å; Q172-W175 WeakPolarHBondContact O-CB 3.19Å; Q172-W175 PolarHBondContact O-N 3.1Å; Q172-E194 VanDerWaalsContact CA-OE2 3.29Å; Q172-E194 WeakPolarHBondContact CA-OE2 3.34Å; Q172-E194 VanDerWaalsContact CB-OE2 3.31Å; Q172-E194 WeakPolarHBondContact CB-OE2 3.48Å
173	Y	96.5	Very high	94.4	Very high	34 Å²	34	85.3 Å²	85.3	13%	0.133	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	132.2	174.9	-179.4	-89.1	0	0	0	109.6	L150 G151 D180 P181 T189 T192 E194	L150-Y173 VanDerWaalsContact C-CE2 3.44Å; L150-Y173 HydrophobicContact CB-CD2 4.39Å; L150-Y173 WeakPolarHBondContact O-CD2 3.41Å; L150-Y173 WeakPolarHBondContact O-CE2 3.47Å; G151-Y173 WeakPolarHBondContact CA-OH 3.2Å; Y173-D180 WeakPolarHBondContact CE1-OD1 3.44Å; Y173-D180 PolarHBondContact OH-OD1 2.99Å; Y173-P181 WeakPolarHBondContact OH-CD 3.46Å; Y173-T189 HydrophobicContact CE2-CG2 4.29Å; Y173-T192 HydrophobicContact CD2-CG2 3.72Å; Y173-T192 HydrophobicContact CE2-CG2 3.72Å; Y173-E194 PolarHBondContact N-OE2 2.84Å
174	P	95.8	Very high	93.7	Very high	37 Å²	37	86.8 Å²	86.8	24%	0.24	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97.7	12.9	16.7	38.1	-36.3	0	0	0	116.2	L177 T192	P174-L177 CarbonylContact C-O 3.25Å; P174-L177 HydrophobicContact CB-CB 4.24Å; P174-L177 WeakPolarHBondContact O-CA 3.09Å; P174-L177 WeakPolarHBondContact O-CB 3.07Å; P174-L177 PolarHBondContact O-N 3.42Å; P174-T192 WeakPolarHBondContact O-CG2 3.41Å
175	W	96.7	Very high	93.2	Very high	93 Å²	93	87.5 Å²	87.5	35%	0.352	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	135.2	-174.5	-173.5	93.5	0	0	0	112.7	F171 Q172 T192 Y193 Y245	F171-W175 AromaticContact CD1-CD2 3.68Å; F171-W175 HydrophobicContact CD1-CD2 3.68Å; F171-W175 AromaticContact CD1-CE2 3.83Å; F171-W175 AromaticContact CD1-CE3 3.6Å; F171-W175 HydrophobicContact CD1-CE3 3.6Å; F171-W175 HydrophobicContact CD1-CG 4.4Å; F171-W175 AromaticContact CD1-CH2 3.83Å; F171-W175 HydrophobicContact CD1-CH2 3.83Å; F171-W175 AromaticContact CD1-CZ2 3.92Å; F171-W175 HydrophobicContact CD1-CZ2 3.92Å; F171-W175 AromaticContact CD1-CZ3 3.69Å; F171-W175 HydrophobicContact CD1-CZ3 3.69Å; F171-W175 HydrophobicContact CE1-CD2 4.28Å; F171-W175 AromaticContact CE1-CE2 3.97Å; F171-W175 HydrophobicContact CE1-CE3 4.25Å; F171-W175 AromaticContact CE1-CH2 3.6Å; F171-W175 HydrophobicContact CE1-CH2 3.6Å; F171-W175 AromaticContact CE1-CZ2 3.63Å; F171-W175 HydrophobicContact CE1-CZ2 3.63Å; F171-W175 AromaticContact CE1-CZ3 3.94Å; F171-W175 HydrophobicContact CE1-CZ3 3.94Å; Q172-W175 WeakPolarHBondContact O-CB 3.19Å; Q172-W175 PolarHBondContact O-N 3.1Å; W175-T192 CarbonylContact O-C 3.33Å; W175-T192 WeakPolarHBondContact O-CA 3.33Å; W175-T192 WeakPolarHBondContact O-CB 3.48Å; W175-Y193 VanDerWaalsContact CE3-CB 3.41Å; W175-Y193 HydrophobicContact CE3-CD2 4.34Å; W175-Y193 HydrophobicContact CE3-CG 4.19Å; W175-Y193 AromaticContact CZ3-CD2 3.75Å; W175-Y193 HydrophobicContact CZ3-CD2 3.75Å; W175-Y193 HydrophobicContact CZ3-CG 4.06Å; W175-Y193 PolarHBondContact O-N 2.85Å; W175-Y245 HydrophobicContact CH2-CD1 4.05Å; W175-Y245 AromaticContact CH2-CE1 3.92Å; W175-Y245 HydrophobicContact CH2-CE1 3.92Å; W175-Y245 AromaticContact CZ3-CD1 3.83Å; W175-Y245 HydrophobicContact CZ3-CD1 3.83Å; W175-Y245 AromaticContact CZ3-CE1 3.6Å; W175-Y245 HydrophobicContact CZ3-CE1 3.6Å; W175-Y245 HydrophobicContact CZ3-CG 4.44Å
176	P	96.4	Very high	92.8	Very high	61 Å²	61	83.3 Å²	83.3	40%	0.396	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.5	5.5	9	37.3	-37.6	0	0	0	115	A191 Y245	P176-A191 WeakPolarHBondContact CD-O 3.43Å; P176-Y245 WeakPolarHBondContact CD-OH 3.37Å; P176-Y245 WeakPolarHBondContact CG-OH 3.21Å
177	L	94.9	Very high	92.5	Very high	50 Å²	50	82.1 Å²	82.1	26%	0.262	42%	0.416	S	S	.	.	S	Bend	trans	-70.8	154.9	170.7	-47.5	175.9	0	0	0	109.6	P174 L188 T192	P174-L177 CarbonylContact C-O 3.25Å; P174-L177 HydrophobicContact CB-CB 4.24Å; P174-L177 WeakPolarHBondContact O-CA 3.09Å; P174-L177 WeakPolarHBondContact O-CB 3.07Å; P174-L177 PolarHBondContact O-N 3.42Å; L177-L188 HydrophobicContact CD1-CB 4.23Å; L177-T192 HydrophobicContact CD1-CG2 3.87Å; L177-T192 HydrophobicContact CG-CG2 4.15Å
178	T	91.6	Very high	92.2	Very high	141 Å²	141	85 Å²	85	87%	0.865	43%	0.43	S	S	*	.	S	Bend	trans	-95.6	-13.4	178.2	53.2	0	0	0	0	113.3
179	K	91.6	Very high	92.1	Very high	159 Å²	159	81.7 Å²	81.7	69%	0.691	41%	0.409	S	S	*	.	S	Bend	trans	-158	167.3	179.4	62.9	178.5	-176.5	179	0	109.9
180	D	90.9	Very high	92	Very high	96 Å²	96	74 Å²	74	51%	0.513	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-58.5	137.4	173.1	-65.8	-20.4	0	0	0	111.4	Y173	Y173-D180 WeakPolarHBondContact CE1-OD1 3.44Å; Y173-D180 PolarHBondContact OH-OD1 2.99Å
181	P	89.3	Confident	92	Very high	28 Å²	28	69.5 Å²	69.5	18%	0.182	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-65.4	156.8	172.1	28.5	-32.1	0	0	0	110.8	Y173 A185 L188 T189	Y173-P181 WeakPolarHBondContact OH-CD 3.46Å; P181-A185 HydrophobicContact CB-CB 4.12Å; P181-A185 VanDerWaalsContact CB-O 3.23Å; P181-A185 WeakPolarHBondContact CB-O 3.23Å; P181-L188 HydrophobicContact CB-CB 4.02Å; P181-L188 HydrophobicContact CB-CD1 4.35Å; P181-L188 HydrophobicContact CG-CB 4.28Å; P181-T189 HydrophobicContact CG-CG2 3.74Å
182	S	86	Confident	92	Very high	65 Å²	65	66.9 Å²	66.9	46%	0.455	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-64.2	163.2	172.6	57.5	0	0	0	0	111	S184 A185 W186	S182-S184 PolarHBondContact O-N 3.09Å; S182-S184 VanDerWaalsContact O-N 3.14Å; S182-S184 PolarHBondContact OG-OG 3.25Å; S182-A185 CarbonylContact O-C 3.47Å; S182-A185 WeakPolarHBondContact O-CA 3.01Å; S182-A185 PolarHBondContact O-N 3.01Å; S182-A185 WeakPolarHBondContact OG-CB 3.35Å; S182-A185 PolarHBondContact OG-N 3.22Å; S182-W186 PolarHBondContact O-N 2.89Å
183	Q	83.4	Confident	92	Very high	187 Å²	187	66.3 Å²	66.3	87%	0.874	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-54.7	-32.9	172.4	-69.8	-176	14.1	0	0	112.7	A185	Q183-A185 VanDerWaalsContact C-N 3.29Å; Q183-A185 PolarHBondContact O-N 2.99Å
184	S	82.5	Confident	92.1	Very high	102 Å²	102	64.8 Å²	64.8	71%	0.713	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-75.2	-14	175.6	56.7	0	0	0	0	114.6	S182	S182-S184 PolarHBondContact O-N 3.09Å; S182-S184 VanDerWaalsContact O-N 3.14Å; S182-S184 PolarHBondContact OG-OG 3.25Å
185	A	87.1	Confident	92.1	Very high	19 Å²	19	63 Å²	63	16%	0.157	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-121	21	-178.6	0	0	0	0	0	111.6	P181 S182 Q183 F187 L188	P181-A185 HydrophobicContact CB-CB 4.12Å; P181-A185 VanDerWaalsContact CB-O 3.23Å; P181-A185 WeakPolarHBondContact CB-O 3.23Å; S182-A185 CarbonylContact O-C 3.47Å; S182-A185 WeakPolarHBondContact O-CA 3.01Å; S182-A185 PolarHBondContact O-N 3.01Å; S182-A185 WeakPolarHBondContact OG-CB 3.35Å; S182-A185 PolarHBondContact OG-N 3.22Å; Q183-A185 VanDerWaalsContact C-N 3.29Å; Q183-A185 PolarHBondContact O-N 2.99Å; A185-F187 PolarHBondContact O-N 3.28Å; A185-L188 HydrophobicContact CB-CD1 3.91Å; A185-L188 HydrophobicContact CB-CG 4.32Å; A185-L188 VanDerWaalsContact O-CB 3.29Å; A185-L188 WeakPolarHBondContact O-CB 3.43Å; A185-L188 WeakPolarHBondContact O-CG 3.45Å; A185-L188 PolarHBondContact O-N 3.05Å
186	W	89.2	Confident	92.2	Very high	78 Å²	78	58.7 Å²	58.7	30%	0.295	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-52.4	-31.8	-175.8	69.7	-92.5	0	0	0	112.5	D144 S182 L188 T189 Y190	D144-W186 HydrophobicContact CB-CE3 4.06Å; D144-W186 HydrophobicContact CB-CH2 4.02Å; D144-W186 HydrophobicContact CB-CZ3 3.55Å; S182-W186 PolarHBondContact O-N 2.89Å; W186-L188 PolarHBondContact O-N 3.32Å; W186-L188 VanDerWaalsContact O-N 3.14Å; W186-T189 WeakPolarHBondContact O-CB 3.17Å; W186-T189 WeakPolarHBondContact O-CG2 3.3Å; W186-T189 PolarHBondContact O-N 3.46Å; W186-T189 PolarHBondContact O-OG1 3.41Å; W186-Y190 HydrophobicContact CH2-CE2 4.21Å; W186-Y190 HydrophobicContact CZ3-CD2 4.34Å; W186-Y190 AromaticContact CZ3-CE2 3.65Å; W186-Y190 HydrophobicContact CZ3-CE2 3.65Å
187	F	89.2	Confident	92.3	Very high	79 Å²	79	57.4 Å²	57.4	35%	0.346	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.7	178.3	63.1	-97.5	0	0	0	113	A185 T189 Y190	A185-F187 PolarHBondContact O-N 3.28Å; F187-T189 PolarHBondContact O-N 3.08Å; F187-T189 VanDerWaalsContact O-N 3.17Å; F187-Y190 WeakPolarHBondContact O-CB 3.45Å; F187-Y190 WeakPolarHBondContact O-CD2 3.48Å; F187-Y190 PolarHBondContact O-N 3.44Å; F187-Y190 VanDerWaalsContact O-N 3.12Å
188	L	92.6	Very high	92.4	Very high	66 Å²	66	55.1 Å²	55.1	35%	0.346	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-64.1	-16.1	174.2	-65.7	179.3	0	0	0	112.8	L177 P181 A185 W186 Y190 A191	L177-L188 HydrophobicContact CD1-CB 4.23Å; P181-L188 HydrophobicContact CB-CB 4.02Å; P181-L188 HydrophobicContact CB-CD1 4.35Å; P181-L188 HydrophobicContact CG-CB 4.28Å; A185-L188 HydrophobicContact CB-CD1 3.91Å; A185-L188 HydrophobicContact CB-CG 4.32Å; A185-L188 VanDerWaalsContact O-CB 3.29Å; A185-L188 WeakPolarHBondContact O-CB 3.43Å; A185-L188 WeakPolarHBondContact O-CG 3.45Å; A185-L188 PolarHBondContact O-N 3.05Å; W186-L188 PolarHBondContact O-N 3.32Å; W186-L188 VanDerWaalsContact O-N 3.14Å; L188-Y190 PolarHBondContact O-N 2.65Å; L188-A191 WeakPolarHBondContact O-CB 3.46Å; L188-A191 PolarHBondContact O-N 3.2Å
189	T	94.6	Very high	92.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-58.3	-33.5	171.3	56.1	0	0	0	0	112.1	L150 Y173 P181 W186 F187 A191 T192 S195	L150-T189 WeakPolarHBondContact O-CG2 3.46Å; Y173-T189 HydrophobicContact CE2-CG2 4.29Å; P181-T189 HydrophobicContact CG-CG2 3.74Å; W186-T189 WeakPolarHBondContact O-CB 3.17Å; W186-T189 WeakPolarHBondContact O-CG2 3.3Å; W186-T189 PolarHBondContact O-N 3.46Å; W186-T189 PolarHBondContact O-OG1 3.41Å; F187-T189 PolarHBondContact O-N 3.08Å; F187-T189 VanDerWaalsContact O-N 3.17Å; T189-A191 PolarHBondContact O-N 3.43Å; T189-T192 PolarHBondContact O-N 2.98Å; T189-T192 PolarHBondContact O-OG1 3.16Å; T189-S195 WeakPolarHBondContact O-CB 3.24Å
190	Y	94.7	Very high	92.9	Very high	37 Å²	37	41.7 Å²	41.7	15%	0.145	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-66.3	-22.3	173.7	-70.7	-66.3	0	0	0	113.6	Q143 G145 W186 F187 L188 T192 F199 P240	Q143-Y190 PolarHBondContact NE2-OH 3.33Å; Q143-Y190 PolarHBondContact OE1-OH 3.28Å; G145-Y190 PolarHBondContact N-OH 3.49Å; W186-Y190 HydrophobicContact CH2-CE2 4.21Å; W186-Y190 HydrophobicContact CZ3-CD2 4.34Å; W186-Y190 AromaticContact CZ3-CE2 3.65Å; W186-Y190 HydrophobicContact CZ3-CE2 3.65Å; F187-Y190 WeakPolarHBondContact O-CB 3.45Å; F187-Y190 WeakPolarHBondContact O-CD2 3.48Å; F187-Y190 PolarHBondContact O-N 3.44Å; F187-Y190 VanDerWaalsContact O-N 3.12Å; L188-Y190 PolarHBondContact O-N 2.65Å; Y190-T192 PolarHBondContact O-N 2.91Å; Y190-F199 AromaticContact CD1-CE2 3.91Å; Y190-F199 HydrophobicContact CD1-CE2 3.91Å; Y190-F199 HydrophobicContact CD1-CZ 4.41Å; Y190-F199 AromaticContact CE1-CE2 3.68Å; Y190-F199 HydrophobicContact CE1-CE2 3.68Å; Y190-F199 AromaticContact CE1-CZ 3.72Å; Y190-F199 HydrophobicContact CE1-CZ 3.72Å; Y190-P240 HydrophobicContact CD1-CB 3.86Å; Y190-P240 HydrophobicContact CD1-CG 3.81Å; Y190-P240 HydrophobicContact CE1-CB 4.19Å; Y190-P240 HydrophobicContact CE1-CG 3.82Å
191	A	94.8	Very high	93.3	Very high	38 Å²	38	37.5 Å²	37.5	31%	0.314	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-83.9	8.2	177.2	0	0	0	0	0	112.8	P176 L188 T189 Y245	P176-A191 WeakPolarHBondContact CD-O 3.43Å; L188-A191 WeakPolarHBondContact O-CB 3.46Å; L188-A191 PolarHBondContact O-N 3.2Å; T189-A191 PolarHBondContact O-N 3.43Å; A191-Y245 PolarHBondContact O-OH 3.32Å
192	T	97.1	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-92.1	149.3	176.2	66.7	0	0	0	0	111.6	Y173 P174 W175 L177 T189 Y190 E194 S195 A196	Y173-T192 HydrophobicContact CD2-CG2 3.72Å; Y173-T192 HydrophobicContact CE2-CG2 3.72Å; P174-T192 WeakPolarHBondContact O-CG2 3.41Å; W175-T192 CarbonylContact O-C 3.33Å; W175-T192 WeakPolarHBondContact O-CA 3.33Å; W175-T192 WeakPolarHBondContact O-CB 3.48Å; L177-T192 HydrophobicContact CD1-CG2 3.87Å; L177-T192 HydrophobicContact CG-CG2 4.15Å; T189-T192 PolarHBondContact O-N 2.98Å; T189-T192 PolarHBondContact O-OG1 3.16Å; Y190-T192 PolarHBondContact O-N 2.91Å; T192-E194 PolarHBondContact O-N 2.86Å; T192-S195 PolarHBondContact O-N 3.48Å; T192-S195 WeakPolarHBondContact OG1-CB 3.45Å; T192-S195 PolarHBondContact OG1-N 3.29Å; T192-A196 PolarHBondContact O-N 3.47Å
193	Y	97.8	Very high	94.2	Very high	22 Å²	22	33.4 Å²	33.4	9%	0.086	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-43.6	-179	-176.1	-74.4	0	0	0	112	P167 F171 W175 S195 A196 H197 Y245	P167-Y193 HydrophobicContact CB-CD1 3.86Å; P167-Y193 HydrophobicContact CB-CE1 3.6Å; P167-Y193 HydrophobicContact CG-CD1 4.12Å; P167-Y193 HydrophobicContact CG-CE1 4.33Å; F171-Y193 HydrophobicContact CB-CD1 3.7Å; F171-Y193 HydrophobicContact CB-CD2 4.49Å; F171-Y193 HydrophobicContact CB-CE1 4.12Å; F171-Y193 HydrophobicContact CB-CG 3.94Å; F171-Y193 HydrophobicContact CD1-CD2 4.48Å; F171-Y193 HydrophobicContact CG-CD1 4.37Å; F171-Y193 HydrophobicContact CG-CD2 4.41Å; F171-Y193 HydrophobicContact CG-CG 4.33Å; W175-Y193 VanDerWaalsContact CE3-CB 3.41Å; W175-Y193 HydrophobicContact CE3-CD2 4.34Å; W175-Y193 HydrophobicContact CE3-CG 4.19Å; W175-Y193 AromaticContact CZ3-CD2 3.75Å; W175-Y193 HydrophobicContact CZ3-CD2 3.75Å; W175-Y193 HydrophobicContact CZ3-CG 4.06Å; W175-Y193 PolarHBondContact O-N 2.85Å; Y193-S195 VanDerWaalsContact C-N 3.25Å; Y193-S195 PolarHBondContact O-N 2.9Å; Y193-A196 PolarHBondContact O-N 3.23Å; Y193-H197 HydrophobicContact CD1-CB 4.2Å; Y193-H197 HydrophobicContact CE1-CB 4.05Å; Y193-H197 WeakPolarHBondContact O-CB 3.46Å; Y193-H197 PolarHBondContact O-N 3.44Å; Y193-Y245 HydrophobicContact CD2-CD1 4.17Å; Y193-Y245 AromaticContact CD2-CD2 3.64Å; Y193-Y245 HydrophobicContact CD2-CD2 3.64Å; Y193-Y245 HydrophobicContact CD2-CE2 4.39Å; Y193-Y245 AromaticContact CD2-CG 3.52Å; Y193-Y245 HydrophobicContact CD2-CG 3.52Å; Y193-Y245 HydrophobicContact CE2-CD2 4.46Å; Y193-Y245 HydrophobicContact CE2-CG 4.13Å; Y193-Y245 HydrophobicContact CG-CD2 4.17Å; Y193-Y245 HydrophobicContact CG-CG 4.46Å
194	E	97.5	Very high	94.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-34	-180	-165.6	172.4	177.6	0	0	111.9	R149 L150 R166 P167 Q172 Y173 T192 A198	R149-E194 IonicContact NE-OE1 3.75Å; L150-E194 HydrophobicContact CD2-CB 3.85Å; L150-E194 HydrophobicContact CD2-CG 3.6Å; R166-E194 IonicContact CZ-OE1 3.46Å; R166-E194 IonicContact CZ-OE2 3.78Å; R166-E194 IonicContact NE-OE1 3.5Å; R166-E194 PolarHBondContact NE-OE1 3.28Å; R166-E194 IonicContact NE-OE2 3.94Å; R166-E194 IonicContact NH2-OE1 3.25Å; R166-E194 PolarHBondContact NH2-OE1 3.37Å; R166-E194 IonicContact NH2-OE2 2.87Å; R166-E194 PolarHBondContact NH2-OE2 2.97Å; P167-E194 HydrophobicContact CG-CB 4.02Å; P167-E194 HydrophobicContact CG-CG 3.85Å; Q172-E194 VanDerWaalsContact CA-OE2 3.29Å; Q172-E194 WeakPolarHBondContact CA-OE2 3.34Å; Q172-E194 VanDerWaalsContact CB-OE2 3.31Å; Q172-E194 WeakPolarHBondContact CB-OE2 3.48Å; Y173-E194 PolarHBondContact N-OE2 2.84Å; T192-E194 PolarHBondContact O-N 2.86Å; E194-A198 WeakPolarHBondContact O-CB 3.43Å; E194-A198 PolarHBondContact O-N 2.95Å
195	S	97.2	Very high	95.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.3	-54.3	172.1	-176.2	0	0	0	0	111.3	T189 T192 Y193 H197 A198 F199	T189-S195 WeakPolarHBondContact O-CB 3.24Å; T192-S195 PolarHBondContact O-N 3.48Å; T192-S195 WeakPolarHBondContact OG1-CB 3.45Å; T192-S195 PolarHBondContact OG1-N 3.29Å; Y193-S195 VanDerWaalsContact C-N 3.25Å; Y193-S195 PolarHBondContact O-N 2.9Å; S195-H197 VanDerWaalsContact C-N 3.26Å; S195-H197 PolarHBondContact O-N 3.41Å; S195-A198 PolarHBondContact O-N 3.35Å; S195-F199 VanDerWaalsContact O-CD2 3.29Å; S195-F199 WeakPolarHBondContact O-CD2 3.27Å; S195-F199 PolarHBondContact O-N 3.31Å
196	A	97.6	Very high	96.1	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-57.4	-39.7	179.7	0	0	0	0	0	112.2	T192 Y193 E200 G242 N243 F244 Y245	T192-A196 PolarHBondContact O-N 3.47Å; Y193-A196 PolarHBondContact O-N 3.23Å; A196-E200 WeakPolarHBondContact O-CB 3.27Å; A196-E200 PolarHBondContact O-N 2.85Å; A196-G242 CarbonylContact O-C 3.48Å; A196-N243 HydrophobicContact CB-CB 4.43Å; A196-N243 PolarHBondContact O-N 2.98Å; A196-F244 HydrophobicContact CB-CD1 4.2Å; A196-F244 HydrophobicContact CB-CE1 3.9Å; A196-F244 HydrophobicContact CB-CZ 4.49Å; A196-Y245 HydrophobicContact CB-CD2 4.19Å; A196-Y245 HydrophobicContact CB-CE2 4.35Å
197	H	97.9	Very high	96.3	Very high	34 Å²	34	30.5 Å²	30.5	16%	0.157	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-42.6	174.3	175.1	79.8	0	0	0	113.1	K165 Y193 S195 S201	K165-H197 PolarHBondContact O-NE2 3Å; Y193-H197 HydrophobicContact CD1-CB 4.2Å; Y193-H197 HydrophobicContact CE1-CB 4.05Å; Y193-H197 WeakPolarHBondContact O-CB 3.46Å; Y193-H197 PolarHBondContact O-N 3.44Å; S195-H197 VanDerWaalsContact C-N 3.26Å; S195-H197 PolarHBondContact O-N 3.41Å; H197-S201 WeakPolarHBondContact O-CB 3.42Å; H197-S201 PolarHBondContact O-N 3.42Å; H197-S201 PolarHBondContact O-OG 2.99Å
198	A	97.7	Very high	96.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-46.4	178.9	0	0	0	0	0	111.6	L146 L150 M161 I164 E194 S195 S201 I202	L146-A198 HydrophobicContact CD2-CB 3.8Å; L150-A198 HydrophobicContact CD1-CB 4.25Å; M161-A198 HydrophobicContact CE-CB 4.36Å; I164-A198 HydrophobicContact CD1-CB 4.11Å; I164-A198 HydrophobicContact CG2-CB 4.41Å; E194-A198 WeakPolarHBondContact O-CB 3.43Å; E194-A198 PolarHBondContact O-N 2.95Å; S195-A198 PolarHBondContact O-N 3.35Å; A198-S201 WeakPolarHBondContact O-CB 3.25Å; A198-S201 PolarHBondContact O-N 3.32Å; A198-I202 WeakPolarHBondContact O-CG1 3.45Å; A198-I202 PolarHBondContact O-N 3.29Å
199	F	97.5	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-42.2	177.1	-78.6	-76	0	0	0	112.6	L146 Y190 S195 S201 I202 Y203 P240	L146-F199 HydrophobicContact CB-CE1 4.38Å; L146-F199 HydrophobicContact CB-CE2 3.85Å; L146-F199 HydrophobicContact CB-CZ 3.62Å; L146-F199 HydrophobicContact CD1-CE1 4.27Å; L146-F199 HydrophobicContact CD1-CZ 4.32Å; L146-F199 HydrophobicContact CD2-CE2 4.45Å; L146-F199 HydrophobicContact CD2-CZ 4.48Å; L146-F199 HydrophobicContact CG-CZ 4.36Å; Y190-F199 AromaticContact CD1-CE2 3.91Å; Y190-F199 HydrophobicContact CD1-CE2 3.91Å; Y190-F199 HydrophobicContact CD1-CZ 4.41Å; Y190-F199 AromaticContact CE1-CE2 3.68Å; Y190-F199 HydrophobicContact CE1-CE2 3.68Å; Y190-F199 AromaticContact CE1-CZ 3.72Å; Y190-F199 HydrophobicContact CE1-CZ 3.72Å; S195-F199 VanDerWaalsContact O-CD2 3.29Å; S195-F199 WeakPolarHBondContact O-CD2 3.27Å; S195-F199 PolarHBondContact O-N 3.31Å; F199-S201 VanDerWaalsContact C-N 3.28Å; F199-S201 PolarHBondContact O-N 3.43Å; F199-I202 WeakPolarHBondContact O-CB 3.37Å; F199-I202 PolarHBondContact O-N 3.03Å; F199-Y203 HydrophobicContact CB-CE2 3.89Å; F199-Y203 AromaticContact CD1-CZ 3.96Å; F199-Y203 WeakPolarHBondContact CD1-OH 3.4Å; F199-Y203 WeakPolarHBondContact O-CD2 3.22Å; F199-Y203 PolarHBondContact O-N 2.93Å; F199-P240 HydrophobicContact CB-CG 3.94Å; F199-P240 HydrophobicContact CD1-CG 3.5Å; F199-P240 HydrophobicContact CD2-CG 3.28Å; F199-P240 VanDerWaalsContact CE1-CD 3.43Å; F199-P240 HydrophobicContact CE1-CG 3.67Å; F199-P240 HydrophobicContact CE2-CG 3.48Å; F199-P240 VanDerWaalsContact CE2-CG 3.48Å; F199-P240 HydrophobicContact CG-CG 3.28Å; F199-P240 HydrophobicContact CZ-CG 3.64Å
200	E	97.4	Very high	97.1	Very high	18 Å²	18	26.3 Å²	26.3	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-38.5	174.1	-170.3	176.1	-139.3	0	0	112.2	A196 I202 Y203 K204 N243	A196-E200 WeakPolarHBondContact O-CB 3.27Å; A196-E200 PolarHBondContact O-N 2.85Å; E200-I202 VanDerWaalsContact C-N 3.29Å; E200-I202 PolarHBondContact O-N 2.86Å; E200-Y203 PolarHBondContact O-N 3.43Å; E200-K204 HydrophobicContact CG-CD 3.9Å; E200-K204 HydrophobicContact CG-CG 4.23Å; E200-K204 WeakPolarHBondContact O-CB 3.39Å; E200-K204 WeakPolarHBondContact O-CG 3.44Å; E200-K204 PolarHBondContact O-N 3.43Å; E200-K204 WeakPolarHBondContact OE1-CE 3.27Å; E200-K204 IonicContact OE1-NZ 3.56Å; E200-K204 PolarHBondContact OE1-NZ 3.45Å; E200-K204 IonicContact OE2-NZ 3.55Å; E200-N243 HydrophobicContact CB-CB 3.77Å; E200-N243 HydrophobicContact CG-CB 4.24Å; E200-N243 WeakPolarHBondContact OE2-CB 3.46Å
201	S	97.8	Very high	97.3	Very high	9 Å²	9	28.9 Å²	28.9	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-40.8	176	-62	0	0	0	0	111.5	H197 A198 F199 N205 V206	H197-S201 WeakPolarHBondContact O-CB 3.42Å; H197-S201 PolarHBondContact O-N 3.42Å; H197-S201 PolarHBondContact O-OG 2.99Å; A198-S201 WeakPolarHBondContact O-CB 3.25Å; A198-S201 PolarHBondContact O-N 3.32Å; F199-S201 VanDerWaalsContact C-N 3.28Å; F199-S201 PolarHBondContact O-N 3.43Å; S201-N205 PolarHBondContact O-N 3.25Å; S201-V206 PolarHBondContact O-N 3.16Å
202	I	97.8	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-53.2	173.4	-66.5	164.7	0	0	0	110	L146 F160 I164 A198 F199 E200 K204 N205 L209 W210 F213 F263	L146-I202 HydrophobicContact CD1-CD1 3.98Å; L146-I202 HydrophobicContact CD2-CD1 3.96Å; F160-I202 HydrophobicContact CE1-CD1 4.27Å; F160-I202 HydrophobicContact CZ-CD1 4.25Å; F160-I202 HydrophobicContact CZ-CG1 4.21Å; I164-I202 HydrophobicContact CD1-CD1 4.5Å; I164-I202 HydrophobicContact CD1-CG1 4.39Å; A198-I202 WeakPolarHBondContact O-CG1 3.45Å; A198-I202 PolarHBondContact O-N 3.29Å; F199-I202 WeakPolarHBondContact O-CB 3.37Å; F199-I202 PolarHBondContact O-N 3.03Å; E200-I202 VanDerWaalsContact C-N 3.29Å; E200-I202 PolarHBondContact O-N 2.86Å; I202-K204 VanDerWaalsContact C-N 3.26Å; I202-K204 PolarHBondContact O-N 3.49Å; I202-N205 PolarHBondContact O-N 2.93Å; I202-L209 HydrophobicContact CG1-CD1 4.34Å; I202-W210 VanDerWaalsContact O-CD1 3.24Å; I202-W210 PolarHBondContact O-NE1 2.92Å; I202-F213 HydrophobicContact CD1-CE2 4.27Å; I202-F213 HydrophobicContact CD1-CZ 4.13Å; I202-F213 HydrophobicContact CG1-CE2 4.2Å; I202-F213 HydrophobicContact CG2-CD2 4.46Å; I202-F213 HydrophobicContact CG2-CE2 3.64Å; I202-F213 HydrophobicContact CG2-CZ 3.91Å; I202-F263 HydrophobicContact CG2-CE1 4.34Å; I202-F263 HydrophobicContact CG2-CE2 4.42Å; I202-F263 HydrophobicContact CG2-CZ 4.12Å
203	Y	97.3	Very high	97.5	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-29.7	-175.7	-54	-33.7	0	0	0	113.5	F199 E200 N205 W210 P239 P240 L260 F263	F199-Y203 HydrophobicContact CB-CE2 3.89Å; F199-Y203 AromaticContact CD1-CZ 3.96Å; F199-Y203 WeakPolarHBondContact CD1-OH 3.4Å; F199-Y203 WeakPolarHBondContact O-CD2 3.22Å; F199-Y203 PolarHBondContact O-N 2.93Å; E200-Y203 PolarHBondContact O-N 3.43Å; Y203-N205 VanDerWaalsContact C-N 3.33Å; Y203-W210 WeakPolarHBondContact O-CZ2 3.47Å; Y203-P239 WeakPolarHBondContact OH-CB 3.09Å; Y203-P240 WeakPolarHBondContact CE2-O 3.44Å; Y203-P240 WeakPolarHBondContact OH-CD 3.46Å; Y203-P240 PolarHBondContact OH-O 3.07Å; Y203-L260 HydrophobicContact CD1-CD2 3.8Å; Y203-L260 HydrophobicContact CE1-CD2 3.3Å; Y203-L260 HydrophobicContact CE1-CG 4.31Å; Y203-L260 HydrophobicContact CE2-CD2 4.33Å; Y203-F263 HydrophobicContact CD1-CD1 4.22Å; Y203-F263 HydrophobicContact CE1-CD1 4.46Å
204	K	96.8	Very high	97.5	Very high	118 Å²	118	28.1 Å²	28.1	51%	0.513	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	6.6	175.7	-67.4	-174.6	-177.3	168.9	0	114.1	E200 I202 V206	E200-K204 HydrophobicContact CG-CD 3.9Å; E200-K204 HydrophobicContact CG-CG 4.23Å; E200-K204 WeakPolarHBondContact O-CB 3.39Å; E200-K204 WeakPolarHBondContact O-CG 3.44Å; E200-K204 PolarHBondContact O-N 3.43Å; E200-K204 WeakPolarHBondContact OE1-CE 3.27Å; E200-K204 IonicContact OE1-NZ 3.56Å; E200-K204 PolarHBondContact OE1-NZ 3.45Å; E200-K204 IonicContact OE2-NZ 3.55Å; I202-K204 VanDerWaalsContact C-N 3.26Å; I202-K204 PolarHBondContact O-N 3.49Å; K204-V206 HydrophobicContact CB-CG2 4.16Å; K204-V206 PolarHBondContact O-N 3.49Å
205	N	97.6	Very high	97.5	Very high	50 Å²	50	31.2 Å²	31.2	27%	0.267	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	36.6	-177.1	-162.9	20	0	0	0	113.7	S201 I202 Y203 S207 G208 L209 W210	S201-N205 PolarHBondContact O-N 3.25Å; I202-N205 PolarHBondContact O-N 2.93Å; Y203-N205 VanDerWaalsContact C-N 3.33Å; N205-S207 PolarHBondContact O-N 3.03Å; N205-G208 PolarHBondContact O-N 3.46Å; N205-G208 VanDerWaalsContact OD1-CA 3.23Å; N205-G208 WeakPolarHBondContact OD1-CA 3.05Å; N205-L209 PolarHBondContact OD1-N 3.03Å; N205-L209 VanDerWaalsContact OD1-N 3.12Å; N205-W210 HydrophobicContact CB-CD2 3.51Å; N205-W210 HydrophobicContact CB-CE3 3.95Å; N205-W210 HydrophobicContact CB-CG 3.8Å; N205-W210 HydrophobicContact CB-CH2 4.42Å; N205-W210 HydrophobicContact CB-CZ2 4.03Å; N205-W210 HydrophobicContact CB-CZ3 4.38Å; N205-W210 VanDerWaalsContact CG-CD2 3.43Å; N205-W210 VanDerWaalsContact CG-CG 3.41Å; N205-W210 VanDerWaalsContact OD1-CB 3.25Å; N205-W210 WeakPolarHBondContact OD1-CB 3.5Å; N205-W210 VanDerWaalsContact OD1-CG 3.23Å; N205-W210 PolarHBondContact OD1-N 3.38Å
206	V	97.3	Very high	97.6	Very high	57 Å²	57	31.2 Å²	31.2	35%	0.345	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-57	131.9	-179.5	174.5	0	0	0	0	108.6	S201 K204 G208 L209	S201-V206 PolarHBondContact O-N 3.16Å; K204-V206 HydrophobicContact CB-CG2 4.16Å; K204-V206 PolarHBondContact O-N 3.49Å; V206-G208 PolarHBondContact O-N 2.75Å; V206-L209 HydrophobicContact CB-CD1 4.39Å; V206-L209 VanDerWaalsContact O-CD1 3.26Å; V206-L209 WeakPolarHBondContact O-CD1 3.33Å; V206-L209 WeakPolarHBondContact O-CG 3.25Å; V206-L209 PolarHBondContact O-N 2.68Å
207	S	94.3	Very high	97.6	Very high	100 Å²	100	31 Å²	31	70%	0.699	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	56.1	21.9	-179.1	-52.9	0	0	0	0	115.2	N205	N205-S207 PolarHBondContact O-N 3.03Å
208	G	97.4	Very high	97.7	Very high	20 Å²	20	34.4 Å²	34.4	21%	0.206	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	75.5	25.2	179.1	0	0	0	0	0	114.4	N205 V206 W210 N211	N205-G208 PolarHBondContact O-N 3.46Å; N205-G208 VanDerWaalsContact OD1-CA 3.23Å; N205-G208 WeakPolarHBondContact OD1-CA 3.05Å; V206-G208 PolarHBondContact O-N 2.75Å; G208-W210 PolarHBondContact O-N 2.75Å; G208-W210 VanDerWaalsContact O-N 3.07Å; G208-N211 WeakPolarHBondContact O-CB 3.27Å; G208-N211 PolarHBondContact O-N 2.86Å
209	L	98.1	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-30	-178.7	-76.5	162.4	0	0	0	114	F160 K163 I164 I202 N205 V206 N211 Y212	F160-L209 HydrophobicContact CD2-CD2 4.37Å; F160-L209 HydrophobicContact CE2-CD2 3.58Å; F160-L209 HydrophobicContact CZ-CD2 3.78Å; K163-L209 HydrophobicContact CB-CD2 3.98Å; I164-L209 HydrophobicContact CD1-CD1 4.46Å; I164-L209 HydrophobicContact CG1-CD1 3.9Å; I164-L209 HydrophobicContact CG1-CD2 3.83Å; I202-L209 HydrophobicContact CG1-CD1 4.34Å; N205-L209 PolarHBondContact OD1-N 3.03Å; N205-L209 VanDerWaalsContact OD1-N 3.12Å; V206-L209 HydrophobicContact CB-CD1 4.39Å; V206-L209 VanDerWaalsContact O-CD1 3.26Å; V206-L209 WeakPolarHBondContact O-CD1 3.33Å; V206-L209 WeakPolarHBondContact O-CG 3.25Å; V206-L209 PolarHBondContact O-N 2.68Å; L209-N211 PolarHBondContact O-N 2.93Å; L209-Y212 HydrophobicContact CD2-CD2 4.39Å; L209-Y212 PolarHBondContact O-N 3.46Å; L209-Y212 VanDerWaalsContact O-N 3.14Å
210	W	98.2	Very high	97.7	Very high	36 Å²	36	35.9 Å²	35.9	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-25.9	176.6	-67.6	-4.2	0	0	0	113.2	I202 Y203 N205 G208 Y212 F213 A214 L262 F263 Y266	I202-W210 VanDerWaalsContact O-CD1 3.24Å; I202-W210 PolarHBondContact O-NE1 2.92Å; Y203-W210 WeakPolarHBondContact O-CZ2 3.47Å; N205-W210 HydrophobicContact CB-CD2 3.51Å; N205-W210 HydrophobicContact CB-CE3 3.95Å; N205-W210 HydrophobicContact CB-CG 3.8Å; N205-W210 HydrophobicContact CB-CH2 4.42Å; N205-W210 HydrophobicContact CB-CZ2 4.03Å; N205-W210 HydrophobicContact CB-CZ3 4.38Å; N205-W210 VanDerWaalsContact CG-CD2 3.43Å; N205-W210 VanDerWaalsContact CG-CG 3.41Å; N205-W210 VanDerWaalsContact OD1-CB 3.25Å; N205-W210 WeakPolarHBondContact OD1-CB 3.5Å; N205-W210 VanDerWaalsContact OD1-CG 3.23Å; N205-W210 PolarHBondContact OD1-N 3.38Å; G208-W210 PolarHBondContact O-N 2.75Å; G208-W210 VanDerWaalsContact O-N 3.07Å; W210-Y212 VanDerWaalsContact C-N 3.26Å; W210-Y212 PolarHBondContact O-N 2.72Å; W210-F213 PolarHBondContact O-N 3.36Å; W210-A214 WeakPolarHBondContact O-CB 3.13Å; W210-A214 PolarHBondContact O-N 3.25Å; W210-L262 HydrophobicContact CH2-CB 4.3Å; W210-F263 AromaticContact CD1-CD2 3.39Å; W210-F263 AromaticContact CD1-CE2 3.65Å; W210-F263 HydrophobicContact CD2-CD2 4.18Å; W210-F263 AromaticContact CE2-CD2 3.75Å; W210-F263 AromaticContact CG-CD2 3.97Å; W210-F263 HydrophobicContact CG-CD2 3.97Å; W210-F263 HydrophobicContact CG-CE2 4.27Å; W210-F263 HydrophobicContact CZ2-CB 3.97Å; W210-F263 HydrophobicContact CZ2-CD2 4.49Å; W210-F263 AromaticContact NE1-CD2 3.24Å; W210-F263 AromaticContact NE1-CE2 3.96Å; W210-F263 AromaticContact NE1-CG 3.9Å; W210-Y266 HydrophobicContact CB-CD1 3.63Å; W210-Y266 HydrophobicContact CB-CE1 3.47Å; W210-Y266 VanDerWaalsContact CB-CE1 3.47Å; W210-Y266 HydrophobicContact CB-CG 4.37Å; W210-Y266 HydrophobicContact CD2-CD1 4.11Å; W210-Y266 HydrophobicContact CD2-CG 4.09Å; W210-Y266 AromaticContact CE3-CD1 3.85Å; W210-Y266 HydrophobicContact CE3-CD1 3.85Å; W210-Y266 AromaticContact CE3-CD2 3.7Å; W210-Y266 HydrophobicContact CE3-CD2 3.7Å; W210-Y266 HydrophobicContact CE3-CE1 4.49Å; W210-Y266 HydrophobicContact CE3-CE2 4.36Å; W210-Y266 AromaticContact CE3-CG 3.4Å; W210-Y266 HydrophobicContact CE3-CG 3.4Å; W210-Y266 VanDerWaalsContact CE3-CG 3.4Å; W210-Y266 HydrophobicContact CG-CD1 4.09Å; W210-Y266 HydrophobicContact CG-CE1 4.4Å; W210-Y266 HydrophobicContact CZ3-CD2 4.19Å; W210-Y266 AromaticContact CZ3-CG 4Å; W210-Y266 HydrophobicContact CZ3-CG 4Å; W210-Y266 WeakPolarHBondContact O-CE1 3.29Å
211	N	98.2	Very high	97.8	Very high	92 Å²	92	35.2 Å²	35.2	49%	0.492	18%	0.182	S	C	.	.	H	α-helix	trans	-63.4	-32	177.2	-71.4	-30.8	0	0	0	112.9	G208 L209 A214 E215 Y266	G208-N211 WeakPolarHBondContact O-CB 3.27Å; G208-N211 PolarHBondContact O-N 2.86Å; L209-N211 PolarHBondContact O-N 2.93Å; N211-A214 WeakPolarHBondContact O-CB 3.4Å; N211-A214 PolarHBondContact O-N 3.11Å; N211-E215 PolarHBondContact O-N 3.5Å; N211-Y266 PolarHBondContact OD1-OH 3.14Å
212	Y	97.8	Very high	97.8	Very high	44 Å²	44	41 Å²	41	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-72.7	-40	177.9	-63.9	-72.8	0	0	0	111.5	W105 E112 W159 F160 K163 L209 W210 A214 E215 Y216	W105-Y212 WeakPolarHBondContact CZ2-O 3.35Å; E112-Y212 HydrophobicContact CG-CE1 4.37Å; E112-Y212 WeakPolarHBondContact OE1-CE1 3.34Å; E112-Y212 PolarHBondContact OE1-OH 3.47Å; W159-Y212 AromaticContact CH2-CD1 3.82Å; W159-Y212 HydrophobicContact CH2-CD1 3.82Å; W159-Y212 HydrophobicContact CH2-CE1 4.33Å; W159-Y212 AromaticContact CZ3-CD1 3.52Å; W159-Y212 HydrophobicContact CZ3-CD1 3.52Å; W159-Y212 AromaticContact CZ3-CE1 3.63Å; W159-Y212 HydrophobicContact CZ3-CE1 3.63Å; W159-Y212 HydrophobicContact CZ3-CG 4.31Å; F160-Y212 HydrophobicContact CD2-CD2 4.17Å; F160-Y212 HydrophobicContact CD2-CG 4.02Å; F160-Y212 HydrophobicContact CE2-CD2 4.14Å; F160-Y212 HydrophobicContact CE2-CG 4.24Å; K163-Y212 HydrophobicContact CB-CE2 4.32Å; K163-Y212 WeakPolarHBondContact CD-OH 3.4Å; K163-Y212 WeakPolarHBondContact CE-OH 3.31Å; K163-Y212 HydrophobicContact CG-CE2 3.91Å; L209-Y212 HydrophobicContact CD2-CD2 4.39Å; L209-Y212 PolarHBondContact O-N 3.46Å; L209-Y212 VanDerWaalsContact O-N 3.14Å; W210-Y212 VanDerWaalsContact C-N 3.26Å; W210-Y212 PolarHBondContact O-N 2.72Å; Y212-A214 VanDerWaalsContact C-N 3.35Å; Y212-E215 PolarHBondContact O-N 3.35Å; Y212-Y216 PolarHBondContact O-N 3.22Å; Y212-Y216 VanDerWaalsContact O-N 3.12Å
213	F	98.1	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-37.4	171.2	-73.2	-94.4	0	0	0	111.8	W105 F141 F160 I202 W210 E215 Y216 W217 F263 L267	W105-F213 HydrophobicContact CH2-CD1 4.16Å; W105-F213 AromaticContact CH2-CD2 3.94Å; W105-F213 HydrophobicContact CH2-CD2 3.94Å; W105-F213 HydrophobicContact CH2-CE1 4.34Å; W105-F213 HydrophobicContact CH2-CE2 4.11Å; W105-F213 AromaticContact CH2-CG 3.97Å; W105-F213 HydrophobicContact CH2-CG 3.97Å; W105-F213 HydrophobicContact CH2-CZ 4.31Å; W105-F213 AromaticContact CZ3-CD1 3.88Å; W105-F213 HydrophobicContact CZ3-CD1 3.88Å; W105-F213 HydrophobicContact CZ3-CD2 4.2Å; W105-F213 AromaticContact CZ3-CE1 3.69Å; W105-F213 HydrophobicContact CZ3-CE1 3.69Å; W105-F213 HydrophobicContact CZ3-CE2 4.01Å; W105-F213 HydrophobicContact CZ3-CG 4.14Å; W105-F213 AromaticContact CZ3-CZ 3.75Å; W105-F213 HydrophobicContact CZ3-CZ 3.75Å; F141-F213 AromaticContact CE1-CE1 3.85Å; F141-F213 HydrophobicContact CE1-CE1 3.85Å; F141-F213 HydrophobicContact CE2-CD1 4.08Å; F141-F213 AromaticContact CE2-CE1 3.94Å; F141-F213 HydrophobicContact CE2-CE1 3.94Å; F141-F213 HydrophobicContact CZ-CD1 4.05Å; F141-F213 AromaticContact CZ-CE1 3.43Å; F141-F213 HydrophobicContact CZ-CE1 3.43Å; F141-F213 VanDerWaalsContact CZ-CE1 3.43Å; F141-F213 HydrophobicContact CZ-CZ 4.25Å; F160-F213 HydrophobicContact CE2-CE2 4.1Å; F160-F213 HydrophobicContact CZ-CD2 4.49Å; F160-F213 AromaticContact CZ-CE2 3.67Å; F160-F213 HydrophobicContact CZ-CE2 3.67Å; F160-F213 HydrophobicContact CZ-CZ 4.3Å; I202-F213 HydrophobicContact CD1-CE2 4.27Å; I202-F213 HydrophobicContact CD1-CZ 4.13Å; I202-F213 HydrophobicContact CG1-CE2 4.2Å; I202-F213 HydrophobicContact CG2-CD2 4.46Å; I202-F213 HydrophobicContact CG2-CE2 3.64Å; I202-F213 HydrophobicContact CG2-CZ 3.91Å; W210-F213 PolarHBondContact O-N 3.36Å; F213-E215 VanDerWaalsContact C-N 3.29Å; F213-E215 PolarHBondContact O-N 2.84Å; F213-Y216 WeakPolarHBondContact O-CB 3.49Å; F213-Y216 PolarHBondContact O-N 3.26Å; F213-W217 VanDerWaalsContact O-CD1 3.24Å; F213-W217 PolarHBondContact O-N 2.99Å; F213-F263 HydrophobicContact CB-CE2 4.21Å; F213-F263 HydrophobicContact CB-CZ 4.31Å; F213-F263 HydrophobicContact CD1-CE2 4.44Å; F213-F263 AromaticContact CD1-CZ 3.73Å; F213-F263 HydrophobicContact CD1-CZ 3.73Å; F213-F263 HydrophobicContact CD2-CE2 4.2Å; F213-F263 HydrophobicContact CD2-CZ 4.08Å; F213-F263 AromaticContact CE1-CZ 3.95Å; F213-F263 HydrophobicContact CE1-CZ 3.95Å; F213-F263 HydrophobicContact CE2-CZ 4.29Å; F213-F263 HydrophobicContact CG-CE2 4.05Å; F213-F263 AromaticContact CG-CZ 3.79Å; F213-F263 HydrophobicContact CG-CZ 3.79Å; F213-F263 HydrophobicContact CZ-CZ 4.23Å; F213-L267 HydrophobicContact CB-CD2 3.64Å
214	A	98.3	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-40.5	173.6	0	0	0	0	0	111.8	W210 N211 Y212 W217 R218 Y266 V270	W210-A214 WeakPolarHBondContact O-CB 3.13Å; W210-A214 PolarHBondContact O-N 3.25Å; N211-A214 WeakPolarHBondContact O-CB 3.4Å; N211-A214 PolarHBondContact O-N 3.11Å; Y212-A214 VanDerWaalsContact C-N 3.35Å; A214-W217 PolarHBondContact O-N 2.94Å; A214-R218 WeakPolarHBondContact O-CB 3.37Å; A214-R218 VanDerWaalsContact O-CG 3.27Å; A214-R218 WeakPolarHBondContact O-CG 3.46Å; A214-R218 PolarHBondContact O-N 3.46Å; A214-Y266 HydrophobicContact CB-CE1 3.93Å; A214-V270 HydrophobicContact CB-CB 4.33Å; A214-V270 HydrophobicContact CB-CG1 3.85Å; A214-V270 HydrophobicContact CB-CG2 3.77Å
215	E	98	Very high	97.8	Very high	66 Å²	66	38.5 Å²	38.5	31%	0.308	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-47.5	176	-171.3	-178.4	-159.7	0	0	111.8	K109 N211 Y212 F213 W217 R218 I219	K109-E215 IonicContact NZ-OE1 3.9Å; K109-E215 PolarHBondContact NZ-OE1 3.26Å; K109-E215 IonicContact NZ-OE2 3.26Å; K109-E215 PolarHBondContact NZ-OE2 2.99Å; N211-E215 PolarHBondContact O-N 3.5Å; Y212-E215 PolarHBondContact O-N 3.35Å; F213-E215 VanDerWaalsContact C-N 3.29Å; F213-E215 PolarHBondContact O-N 2.84Å; E215-W217 VanDerWaalsContact C-N 3.32Å; E215-W217 PolarHBondContact O-N 2.96Å; E215-R218 PolarHBondContact O-N 2.68Å; E215-I219 HydrophobicContact CG-CD1 4.11Å; E215-I219 WeakPolarHBondContact O-CG1 3.44Å; E215-I219 PolarHBondContact O-N 3.01Å
216	Y	98.3	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-51	-53.3	173.4	175.1	-80.8	0	0	0	110.7	F103 W105 L108 F141 Y212 F213 R218 I219 T220	F103-Y216 WeakPolarHBondContact CB-OH 3.49Å; F103-Y216 HydrophobicContact CD1-CE1 4.2Å; F103-Y216 HydrophobicContact CD1-CE2 4.02Å; F103-Y216 AromaticContact CD1-CZ 3.54Å; F103-Y216 WeakPolarHBondContact CD1-OH 3.39Å; F103-Y216 HydrophobicContact CE1-CE2 4.38Å; F103-Y216 PolarHBondContact O-OH 2.89Å; W105-Y216 HydrophobicContact CB-CD2 4.11Å; W105-Y216 HydrophobicContact CB-CE2 4.11Å; W105-Y216 HydrophobicContact CD2-CD2 4.25Å; W105-Y216 AromaticContact CG-CD2 3.91Å; W105-Y216 HydrophobicContact CG-CD2 3.91Å; W105-Y216 HydrophobicContact CG-CE2 4.42Å; L108-Y216 HydrophobicContact CD2-CD2 3.48Å; L108-Y216 VanDerWaalsContact CD2-CD2 3.48Å; L108-Y216 HydrophobicContact CD2-CE2 3.83Å; L108-Y216 HydrophobicContact CD2-CG 4.2Å; F141-Y216 HydrophobicContact CB-CE1 4.3Å; F141-Y216 AromaticContact CD2-CD1 3.92Å; F141-Y216 HydrophobicContact CD2-CD1 3.92Å; F141-Y216 HydrophobicContact CD2-CD2 4.1Å; F141-Y216 AromaticContact CD2-CE1 3.65Å; F141-Y216 HydrophobicContact CD2-CE1 3.65Å; F141-Y216 AromaticContact CD2-CE2 3.82Å; F141-Y216 HydrophobicContact CD2-CE2 3.82Å; F141-Y216 HydrophobicContact CD2-CG 4.16Å; F141-Y216 AromaticContact CD2-CZ 3.58Å; F141-Y216 HydrophobicContact CE2-CD1 4.49Å; F141-Y216 HydrophobicContact CE2-CD2 4.16Å; F141-Y216 HydrophobicContact CE2-CE2 4.21Å; F141-Y216 HydrophobicContact CE2-CG 4.32Å; F141-Y216 HydrophobicContact CG-CE1 4.47Å; Y212-Y216 PolarHBondContact O-N 3.22Å; Y212-Y216 VanDerWaalsContact O-N 3.12Å; F213-Y216 WeakPolarHBondContact O-CB 3.49Å; F213-Y216 PolarHBondContact O-N 3.26Å; Y216-R218 PolarHBondContact O-N 3.33Å; Y216-I219 PolarHBondContact O-N 2.95Å; Y216-T220 PolarHBondContact O-N 3.22Å; Y216-T220 PolarHBondContact O-OG1 3.21Å
217	W	98.6	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-30.8	-177.2	-77	113	0	0	0	114	F141 F213 A214 E215 T220 T221 Y233 E234 L235 I271	F141-W217 HydrophobicContact CB-CZ2 3.98Å; F213-W217 VanDerWaalsContact O-CD1 3.24Å; F213-W217 PolarHBondContact O-N 2.99Å; A214-W217 PolarHBondContact O-N 2.94Å; E215-W217 VanDerWaalsContact C-N 3.32Å; E215-W217 PolarHBondContact O-N 2.96Å; W217-T220 HydrophobicContact CE3-CG2 4.05Å; W217-T220 HydrophobicContact CZ3-CG2 3.92Å; W217-T220 PolarHBondContact O-N 2.66Å; W217-T221 WeakPolarHBondContact O-CB 3.26Å; W217-T221 VanDerWaalsContact O-CG2 3.26Å; W217-T221 WeakPolarHBondContact O-CG2 3.34Å; W217-T221 PolarHBondContact O-N 3.36Å; W217-T221 PolarHBondContact O-OG1 3.02Å; W217-Y233 HydrophobicContact CE3-CD1 4.4Å; W217-Y233 HydrophobicContact CE3-CG 4.25Å; W217-Y233 HydrophobicContact CH2-CG 4.45Å; W217-Y233 VanDerWaalsContact CZ3-CB 3.44Å; W217-Y233 AromaticContact CZ3-CD1 3.66Å; W217-Y233 HydrophobicContact CZ3-CD1 3.66Å; W217-Y233 AromaticContact CZ3-CG 3.67Å; W217-Y233 HydrophobicContact CZ3-CG 3.67Å; W217-E234 WeakPolarHBondContact CH2-O 3.08Å; W217-E234 VanDerWaalsContact CZ2-O 3.27Å; W217-E234 WeakPolarHBondContact CZ2-O 3.05Å; W217-L235 HydrophobicContact CZ2-CD2 4.26Å; W217-I271 HydrophobicContact CB-CD1 4.31Å; W217-I271 HydrophobicContact CB-CG1 3.82Å; W217-I271 HydrophobicContact CD2-CD1 3.81Å; W217-I271 HydrophobicContact CD2-CG1 4.23Å; W217-I271 HydrophobicContact CE3-CD1 3.91Å; W217-I271 HydrophobicContact CE3-CG1 4.28Å; W217-I271 HydrophobicContact CG-CD1 3.99Å; W217-I271 HydrophobicContact CG-CG1 4.06Å
218	R	98.5	Very high	97.6	Very high	104 Å²	104	43.3 Å²	43.3	39%	0.392	20%	0.201	S	C	.	.	H	α-helix	trans	-63.9	-45.3	172	-79.8	175.9	-178.8	142	1.1	111.5	A214 E215 Y216 T220 T221 D222 V270	A214-R218 WeakPolarHBondContact O-CB 3.37Å; A214-R218 VanDerWaalsContact O-CG 3.27Å; A214-R218 WeakPolarHBondContact O-CG 3.46Å; A214-R218 PolarHBondContact O-N 3.46Å; E215-R218 PolarHBondContact O-N 2.68Å; Y216-R218 PolarHBondContact O-N 3.33Å; R218-T220 VanDerWaalsContact C-N 3.34Å; R218-T220 PolarHBondContact O-N 3.17Å; R218-T221 PolarHBondContact O-N 2.81Å; R218-T221 PolarHBondContact O-OG1 2.81Å; R218-T221 VanDerWaalsContact O-OG1 3.13Å; R218-D222 VanDerWaalsContact O-CB 3.22Å; R218-D222 WeakPolarHBondContact O-CB 3.35Å; R218-D222 PolarHBondContact O-N 3.47Å; R218-V270 HydrophobicContact CG-CG1 3.7Å
219	I	98.3	Very high	97.6	Very high	32 Å²	32	42.4 Å²	42.4	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-45	176.7	-63.5	163.5	0	0	0	110.2	L108 K109 T115 I120 E215 Y216 T221 R223	L108-I219 HydrophobicContact CD1-CG2 3.96Å; L108-I219 HydrophobicContact CD2-CD1 4.48Å; K109-I219 HydrophobicContact CD-CD1 4.18Å; T115-I219 HydrophobicContact CG2-CD1 4.04Å; T115-I219 HydrophobicContact CG2-CG2 4.37Å; I120-I219 HydrophobicContact CD1-CG2 3.57Å; E215-I219 HydrophobicContact CG-CD1 4.11Å; E215-I219 WeakPolarHBondContact O-CG1 3.44Å; E215-I219 PolarHBondContact O-N 3.01Å; Y216-I219 PolarHBondContact O-N 2.95Å; I219-T221 PolarHBondContact O-N 3.14Å; I219-R223 PolarHBondContact O-N 3.43Å; I219-R223 VanDerWaalsContact O-N 3.16Å
220	T	98.6	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-49.4	177.6	-54.7	0	0	0	0	112.2	F103 I139 Y216 W217 R218 F224 Y233	F103-T220 HydrophobicContact CD1-CG2 4.33Å; F103-T220 HydrophobicContact CE1-CG2 4.35Å; F103-T220 VanDerWaalsContact CE1-OG1 3.27Å; F103-T220 WeakPolarHBondContact CE1-OG1 3.46Å; I139-T220 HydrophobicContact CD1-CG2 4.07Å; I139-T220 HydrophobicContact CG2-CG2 4.05Å; Y216-T220 PolarHBondContact O-N 3.22Å; Y216-T220 PolarHBondContact O-OG1 3.21Å; W217-T220 HydrophobicContact CE3-CG2 4.05Å; W217-T220 HydrophobicContact CZ3-CG2 3.92Å; W217-T220 PolarHBondContact O-N 2.66Å; R218-T220 VanDerWaalsContact C-N 3.34Å; R218-T220 PolarHBondContact O-N 3.17Å; T220-F224 HydrophobicContact CG2-CD2 3.8Å; T220-F224 HydrophobicContact CG2-CE2 4.38Å; T220-F224 WeakPolarHBondContact O-CB 3.4Å; T220-F224 VanDerWaalsContact O-CD2 3.25Å; T220-F224 WeakPolarHBondContact O-CD2 3.41Å; T220-F224 PolarHBondContact O-N 3.22Å; T220-Y233 HydrophobicContact CG2-CD1 4.16Å; T220-Y233 HydrophobicContact CG2-CE1 3.88Å
221	T	98.4	Very high	97.6	Very high	4 Å²	4	41 Å²	41	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-74.7	-37.6	-174.7	49.8	0	0	0	0	112.7	W217 R218 I219 R223 G225 Y233 I271 T274 D275	W217-T221 WeakPolarHBondContact O-CB 3.26Å; W217-T221 VanDerWaalsContact O-CG2 3.26Å; W217-T221 WeakPolarHBondContact O-CG2 3.34Å; W217-T221 PolarHBondContact O-N 3.36Å; W217-T221 PolarHBondContact O-OG1 3.02Å; R218-T221 PolarHBondContact O-N 2.81Å; R218-T221 PolarHBondContact O-OG1 2.81Å; R218-T221 VanDerWaalsContact O-OG1 3.13Å; I219-T221 PolarHBondContact O-N 3.14Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 3.16Å; T221-G225 WeakPolarHBondContact O-CA 3.49Å; T221-G225 PolarHBondContact O-N 3.36Å; T221-Y233 HydrophobicContact CG2-CD2 4.37Å; T221-Y233 HydrophobicContact CG2-CE2 3.66Å; T221-I271 HydrophobicContact CG2-CB 4.19Å; T221-I271 HydrophobicContact CG2-CG1 4.08Å; T221-I271 HydrophobicContact CG2-CG2 3.78Å; T221-T274 WeakPolarHBondContact CB-OG1 3.33Å; T221-T274 PolarHBondContact OG1-OG1 3.49Å; T221-D275 HydrophobicContact CG2-CB 4.17Å
222	D	98	Very high	97.7	Very high	130 Å²	130	36.6 Å²	36.6	70%	0.695	16%	0.163	S	C	*	.	H	α-helix	trans	-59.6	-42.7	174.1	-174.8	60.1	0	0	0	111	R218	R218-D222 VanDerWaalsContact O-CB 3.22Å; R218-D222 WeakPolarHBondContact O-CB 3.35Å; R218-D222 PolarHBondContact O-N 3.47Å
223	R	98.2	Very high	97.7	Very high	66 Å²	66	34.5 Å²	34.5	25%	0.249	16%	0.155	C	C	.	.	H	α-helix	trans	-77.2	-49.2	179.1	-173	64.5	73.3	107.9	4.3	113.6	I120 D121 E124 I219 T221	I120-R223 HydrophobicContact CG2-CB 4.13Å; I120-R223 HydrophobicContact CG2-CG 3.56Å; D121-R223 IonicContact OD1-CZ 3.42Å; D121-R223 IonicContact OD1-NH1 3.36Å; D121-R223 PolarHBondContact OD1-NH1 3.35Å; D121-R223 IonicContact OD1-NH2 2.66Å; D121-R223 PolarHBondContact OD1-NH2 2.8Å; E124-R223 WeakPolarHBondContact OE2-CD 3.41Å; E124-R223 IonicContact OE2-CZ 3.74Å; E124-R223 IonicContact OE2-NH1 2.65Å; E124-R223 PolarHBondContact OE2-NH1 3.02Å; I219-R223 PolarHBondContact O-N 3.43Å; I219-R223 VanDerWaalsContact O-N 3.16Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 3.16Å
224	F	98.1	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-105.8	-12.7	-164.1	-51.6	-50.7	0	0	0	114.2	F103 I120 I123 E124 I127 I139 T220 K226 K227 V230	F103-F224 HydrophobicContact CD1-CE2 4.5Å; F103-F224 HydrophobicContact CE1-CE2 4.03Å; F103-F224 HydrophobicContact CE2-CE2 4.26Å; F103-F224 HydrophobicContact CE2-CZ 4.47Å; F103-F224 AromaticContact CZ-CE2 3.89Å; F103-F224 HydrophobicContact CZ-CE2 3.89Å; F103-F224 HydrophobicContact CZ-CZ 4.36Å; I120-F224 HydrophobicContact CG2-CE1 4.42Å; I120-F224 HydrophobicContact CG2-CZ 4.05Å; I123-F224 HydrophobicContact CB-CZ 4.17Å; I123-F224 HydrophobicContact CG2-CE1 4.35Å; I123-F224 HydrophobicContact CG2-CE2 4.21Å; I123-F224 HydrophobicContact CG2-CZ 3.71Å; E124-F224 HydrophobicContact CB-CE1 3.93Å; I127-F224 HydrophobicContact CD1-CD1 3.65Å; I127-F224 HydrophobicContact CD1-CD2 4.3Å; I127-F224 HydrophobicContact CD1-CE1 3.8Å; I127-F224 HydrophobicContact CD1-CE2 4.43Å; I127-F224 HydrophobicContact CD1-CG 3.93Å; I127-F224 HydrophobicContact CD1-CZ 4.2Å; I139-F224 HydrophobicContact CD1-CB 3.94Å; I139-F224 HydrophobicContact CD1-CD2 3.42Å; I139-F224 VanDerWaalsContact CD1-CD2 3.42Å; I139-F224 HydrophobicContact CD1-CE2 4.14Å; I139-F224 HydrophobicContact CD1-CG 3.88Å; T220-F224 HydrophobicContact CG2-CD2 3.8Å; T220-F224 HydrophobicContact CG2-CE2 4.38Å; T220-F224 WeakPolarHBondContact O-CB 3.4Å; T220-F224 VanDerWaalsContact O-CD2 3.25Å; T220-F224 WeakPolarHBondContact O-CD2 3.41Å; T220-F224 PolarHBondContact O-N 3.22Å; F224-K226 VanDerWaalsContact C-N 3.26Å; F224-K226 PolarHBondContact O-N 2.85Å; F224-K226 VanDerWaalsContact O-N 3.16Å; F224-K227 HydrophobicContact CD1-CD 4.35Å; F224-K227 WeakPolarHBondContact O-CB 3.02Å; F224-K227 PolarHBondContact O-N 2.8Å; F224-V230 HydrophobicContact CB-CG2 4.18Å
225	G	96.1	Very high	97.8	Very high	7 Å²	7	34.5 Å²	34.5	7%	0.072	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.9	-170	0	0	0	0	0	114.5	K45 T221 K227 Y233 D275	K45-G225 WeakPolarHBondContact CE-O 3.26Å; K45-G225 PolarHBondContact NZ-O 3.5Å; T221-G225 WeakPolarHBondContact O-CA 3.49Å; T221-G225 PolarHBondContact O-N 3.36Å; G225-K227 VanDerWaalsContact C-N 3.32Å; G225-K227 PolarHBondContact O-N 2.74Å; G225-Y233 VanDerWaalsContact CA-OH 3.24Å; G225-Y233 WeakPolarHBondContact CA-OH 3.38Å; G225-Y233 PolarHBondContact N-OH 2.93Å; G225-D275 WeakPolarHBondContact CA-OD2 3.47Å
226	K	95.1	Very high	97.7	Very high	209 Å²	209	31.4 Å²	31.4	91%	0.909	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.5	178	-63.5	-179.8	-176.2	171	0	114.4	F224 Y228	F224-K226 VanDerWaalsContact C-N 3.26Å; F224-K226 PolarHBondContact O-N 2.85Å; F224-K226 VanDerWaalsContact O-N 3.16Å; K226-Y228 PolarHBondContact O-N 3.34Å
227	K	96.1	Very high	97.7	Very high	28 Å²	28	31.5 Å²	31.5	12%	0.122	14%	0.141	C	C	.	.			trans	-77	118.2	-178.9	-65	-172.2	-174.2	-76.2	0	110.5	K45 E124 I127 D128 F224 G225 N229 V230	K45-K227 PolarHBondContact NZ-O 3.44Å; E124-K227 WeakPolarHBondContact OE1-CE 3.5Å; E124-K227 IonicContact OE1-NZ 2.65Å; E124-K227 PolarHBondContact OE1-NZ 3.43Å; I127-K227 HydrophobicContact CB-CD 4.24Å; I127-K227 HydrophobicContact CG2-CB 4.48Å; I127-K227 HydrophobicContact CG2-CD 3.56Å; D128-K227 IonicContact OD1-NZ 2.71Å; D128-K227 PolarHBondContact OD1-NZ 3.5Å; D128-K227 IonicContact OD2-NZ 3.1Å; D128-K227 PolarHBondContact OD2-NZ 2.9Å; F224-K227 HydrophobicContact CD1-CD 4.35Å; F224-K227 WeakPolarHBondContact O-CB 3.02Å; F224-K227 PolarHBondContact O-N 2.8Å; G225-K227 VanDerWaalsContact C-N 3.32Å; G225-K227 PolarHBondContact O-N 2.74Å; K227-N229 PolarHBondContact O-N 2.98Å; K227-V230 HydrophobicContact CB-CG2 3.77Å; K227-V230 PolarHBondContact O-N 3.15Å; K227-V230 VanDerWaalsContact O-N 3.16Å
228	Y	94.3	Very high	97.6	Very high	71 Å²	71	32.6 Å²	32.6	28%	0.278	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31	-174.9	79.2	-89.3	0	0	0	113.5	R43 G131 K226	R43-Y228 HydrophobicContact CB-CD2 3.9Å; R43-Y228 HydrophobicContact CB-CG 4.22Å; R43-Y228 HydrophobicContact CG-CD2 4.49Å; R43-Y228 PolarHBondContact NH1-OH 3.08Å; G131-Y228 PolarHBondContact O-OH 3.24Å; K226-Y228 PolarHBondContact O-N 3.34Å
229	N	96.9	Very high	97.5	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.011	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.4	-177	70.4	-55.3	0	0	0	113.4	I127 G131 V135 Y136 I137 K227 L231	I127-N229 PolarHBondContact O-ND2 3.1Å; G131-N229 WeakPolarHBondContact CA-ND2 3.22Å; G131-N229 PolarHBondContact N-ND2 3.19Å; G131-N229 VanDerWaalsContact N-ND2 3.19Å; V135-N229 PolarHBondContact O-ND2 3.08Å; Y136-N229 CarbonylContact C-O 3.4Å; Y136-N229 VanDerWaalsContact CA-O 3.24Å; Y136-N229 WeakPolarHBondContact CA-O 3.45Å; I137-N229 PolarHBondContact N-O 2.97Å; K227-N229 PolarHBondContact O-N 2.98Å; N229-L231 PolarHBondContact O-N 3.24Å; N229-L231 VanDerWaalsContact O-N 3.13Å
230	V	98.4	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	102.6	164.1	177.9	0	0	0	0	106.8	K45 I127 I137 I139 F224 K227 Y233 T278	K45-V230 PolarHBondContact NZ-O 3.01Å; I127-V230 HydrophobicContact CD1-CG2 4.46Å; I127-V230 HydrophobicContact CG2-CG2 3.83Å; I137-V230 CarbonylContact O-C 3.37Å; I137-V230 WeakPolarHBondContact O-CA 3.42Å; I139-V230 HydrophobicContact CD1-CG1 4.09Å; I139-V230 HydrophobicContact CD1-CG2 4.38Å; I139-V230 HydrophobicContact CG1-CG1 4.26Å; F224-V230 HydrophobicContact CB-CG2 4.18Å; K227-V230 HydrophobicContact CB-CG2 3.77Å; K227-V230 PolarHBondContact O-N 3.15Å; K227-V230 VanDerWaalsContact O-N 3.16Å; V230-Y233 HydrophobicContact CG1-CD1 4.43Å; V230-Y233 HydrophobicContact CG1-CE1 3.83Å; V230-T278 HydrophobicContact CG1-CG2 3.93Å
231	L	98.4	Very high	97.2	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-44.2	-179.6	177.7	60.3	0	0	0	110.7	V46 F65 V98 Y136 I137 I138 N229 L279 F281	V46-L231 HydrophobicContact CB-CD1 3.72Å; V46-L231 HydrophobicContact CG1-CD1 3.84Å; V46-L231 HydrophobicContact CG2-CD1 4.04Å; F65-L231 HydrophobicContact CD1-CD2 4.15Å; F65-L231 HydrophobicContact CD2-CD2 3.91Å; F65-L231 HydrophobicContact CE1-CD1 4.34Å; F65-L231 HydrophobicContact CE1-CD2 4.01Å; F65-L231 HydrophobicContact CE2-CD1 3.75Å; F65-L231 HydrophobicContact CE2-CD2 3.75Å; F65-L231 HydrophobicContact CE2-CG 4.43Å; F65-L231 HydrophobicContact CG-CD2 4.1Å; F65-L231 HydrophobicContact CZ-CD1 3.55Å; F65-L231 HydrophobicContact CZ-CD2 3.81Å; F65-L231 HydrophobicContact CZ-CG 4.34Å; V98-L231 HydrophobicContact CG2-CD2 3.92Å; Y136-L231 HydrophobicContact CD1-CB 3.98Å; Y136-L231 HydrophobicContact CD1-CD1 4.33Å; Y136-L231 HydrophobicContact CG-CB 4.4Å; I137-L231 PolarHBondContact O-N 2.02Å; I138-L231 HydrophobicContact CD1-CD2 4.24Å; I138-L231 HydrophobicContact CG1-CB 4.33Å; I138-L231 HydrophobicContact CG1-CD2 3.97Å; I138-L231 HydrophobicContact CG1-CG 4.41Å; N229-L231 PolarHBondContact O-N 3.24Å; N229-L231 VanDerWaalsContact O-N 3.13Å; L231-L279 HydrophobicContact CD1-CD1 3.79Å; L231-L279 HydrophobicContact CG-CD1 4.31Å; L231-L279 VanDerWaalsContact O-CB 3.27Å; L231-L279 WeakPolarHBondContact O-CB 3.4Å; L231-L279 WeakPolarHBondContact O-CG 3.38Å; L231-L279 PolarHBondContact O-N 2.82Å; L231-F281 HydrophobicContact CD2-CZ 4.04Å; L231-F281 HydrophobicContact CG-CE2 4.17Å; L231-F281 HydrophobicContact CG-CZ 4.11Å
232	G	98.6	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	173.2	-176.1	0	0	0	0	0	115.5	I138 I139 L279	I138-G232 WeakPolarHBondContact CA-O 3.31Å; I139-G232 PolarHBondContact N-O 3.23Å; G232-L279 CarbonylContact C-O 3.52Å; G232-L279 WeakPolarHBondContact CA-O 3.33Å
233	Y	98.8	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.9	177.9	-61.2	-45.4	0	0	0	109.5	I139 W217 T220 T221 G225 V230 I271 D275 T278 L279 I280 F281	I139-Y233 HydrophobicContact CB-CD1 4.19Å; I139-Y233 HydrophobicContact CD1-CD1 4.46Å; I139-Y233 HydrophobicContact CD1-CE1 4.1Å; W217-Y233 HydrophobicContact CE3-CD1 4.4Å; W217-Y233 HydrophobicContact CE3-CG 4.25Å; W217-Y233 HydrophobicContact CH2-CG 4.45Å; W217-Y233 VanDerWaalsContact CZ3-CB 3.44Å; W217-Y233 AromaticContact CZ3-CD1 3.66Å; W217-Y233 HydrophobicContact CZ3-CD1 3.66Å; W217-Y233 AromaticContact CZ3-CG 3.67Å; W217-Y233 HydrophobicContact CZ3-CG 3.67Å; T220-Y233 HydrophobicContact CG2-CD1 4.16Å; T220-Y233 HydrophobicContact CG2-CE1 3.88Å; T221-Y233 HydrophobicContact CG2-CD2 4.37Å; T221-Y233 HydrophobicContact CG2-CE2 3.66Å; G225-Y233 VanDerWaalsContact CA-OH 3.24Å; G225-Y233 WeakPolarHBondContact CA-OH 3.38Å; G225-Y233 PolarHBondContact N-OH 2.93Å; V230-Y233 HydrophobicContact CG1-CD1 4.43Å; V230-Y233 HydrophobicContact CG1-CE1 3.83Å; Y233-I271 HydrophobicContact CD2-CD1 4.43Å; Y233-I271 HydrophobicContact CD2-CG2 3.87Å; Y233-I271 HydrophobicContact CE2-CG2 3.99Å; Y233-D275 HydrophobicContact CE2-CB 4.38Å; Y233-D275 PolarHBondContact OH-OD2 3.44Å; Y233-D275 VanDerWaalsContact OH-OD2 3.06Å; Y233-T278 HydrophobicContact CD1-CG2 4.35Å; Y233-T278 HydrophobicContact CD2-CG2 3.71Å; Y233-T278 HydrophobicContact CE1-CG2 4.14Å; Y233-T278 HydrophobicContact CE2-CG2 3.46Å; Y233-T278 VanDerWaalsContact CE2-CG2 3.46Å; Y233-T278 HydrophobicContact CG-CG2 4.16Å; Y233-L279 PolarHBondContact N-O 3.43Å; Y233-I280 HydrophobicContact CD2-CD1 4.21Å; Y233-F281 PolarHBondContact O-N 3.02Å
234	E	98.8	Very high	97	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.6	173.5	-166.1	-179.6	138	0	0	110.5	R100 I138 I139 D140 F141 W217 I236 F281 E283	R100-E234 WeakPolarHBondContact CD-OE2 3.37Å; R100-E234 IonicContact CZ-OE1 2.67Å; R100-E234 IonicContact CZ-OE2 3.8Å; R100-E234 IonicContact NE-OE1 3.38Å; R100-E234 PolarHBondContact NE-OE1 3.15Å; R100-E234 IonicContact NE-OE2 3.21Å; R100-E234 PolarHBondContact NE-OE2 3.28Å; R100-E234 IonicContact NH2-OE1 3.41Å; R100-E234 PolarHBondContact NH2-OE1 2.62Å; R100-E234 IonicContact NH2-OE2 3.09Å; I138-E234 HydrophobicContact CG2-CB 4.06Å; I139-E234 PolarHBondContact O-N 3.05Å; D140-E234 HydrophobicContact CB-CB 4.41Å; F141-E234 PolarHBondContact N-O 3.4Å; W217-E234 WeakPolarHBondContact CH2-O 3.08Å; W217-E234 VanDerWaalsContact CZ2-O 3.27Å; W217-E234 WeakPolarHBondContact CZ2-O 3.05Å; E234-I236 PolarHBondContact O-N 3.2Å; E234-F281 VanDerWaalsContact CA-O 3.32Å; E234-F281 WeakPolarHBondContact CA-O 3.41Å; E234-F281 HydrophobicContact CB-CB 3.87Å; E234-F281 HydrophobicContact CG-CB 3.97Å; E234-E283 HydrophobicContact CG-CG 4.39Å
235	L	98.6	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.108	C	C	.	.			trans	-63.5	-38.9	-163.8	-65.7	-178.3	0	0	0	113.5	W217 Y264 L267 V268 I271 I280 F281	W217-L235 HydrophobicContact CZ2-CD2 4.26Å; L235-Y264 HydrophobicContact CB-CD1 4.06Å; L235-Y264 HydrophobicContact CB-CE1 3.94Å; L235-Y264 HydrophobicContact CD1-CD1 3.56Å; L235-Y264 HydrophobicContact CD1-CD2 4.18Å; L235-Y264 HydrophobicContact CD1-CE1 4.19Å; L235-Y264 HydrophobicContact CD1-CG 3.55Å; L235-Y264 HydrophobicContact CG-CD1 4.48Å; L235-L267 HydrophobicContact CB-CD1 4.33Å; L235-L267 HydrophobicContact CD2-CB 4.17Å; L235-L267 HydrophobicContact CD2-CD1 4.28Å; L235-V268 HydrophobicContact CD1-CG2 4.21Å; L235-I271 HydrophobicContact CD2-CD1 3.64Å; L235-I280 HydrophobicContact CD1-CG2 3.69Å; L235-I280 HydrophobicContact CD2-CG2 4.06Å; L235-I280 HydrophobicContact CG-CG2 3.78Å; L235-F281 PolarHBondContact N-O 3.11Å
236	I	97.5	Very high	97	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	13%	0.132	C	C	.	.			trans	-165.9	130.5	175.7	-174.8	166.7	0	0	0	109.6	F141 Q143 E234 P239 Y264	F141-I236 HydrophobicContact CD1-CB 4.22Å; F141-I236 HydrophobicContact CD1-CG1 3.96Å; F141-I236 HydrophobicContact CE1-CD1 4.4Å; F141-I236 HydrophobicContact CE1-CG1 4.22Å; Q143-I236 HydrophobicContact CG-CD1 4.31Å; Q143-I236 HydrophobicContact CG-CG1 4.03Å; E234-I236 PolarHBondContact O-N 3.2Å; I236-P239 HydrophobicContact CG2-CB 4.1Å; I236-P239 HydrophobicContact CG2-CG 4.26Å; I236-Y264 HydrophobicContact CG2-CE1 3.59Å; I236-Y264 WeakPolarHBondContact CG2-OH 3.23Å
237	N	97.6	Very high	97	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.103	C	C	.	.	S	Bend	trans	-67.7	129.9	171	175.8	89	0	0	0	111.2	R100 F141 H142 Q143 H323	R100-N237 PolarHBondContact NH2-OD1 3.32Å; F141-N237 PolarHBondContact O-N 2.91Å; H142-N237 VanDerWaalsContact CE1-CG 3.45Å; H142-N237 PolarHBondContact CE1-OD1 3.22Å; H142-N237 PolarHBondContact ND1-OD1 3.24Å; Q143-N237 PolarHBondContact NE2-O 3.07Å; Q143-N237 PolarHBondContact O-ND2 3.1Å; N237-H323 PolarHBondContact OD1-CE1 3.01Å
238	E	96.2	Very high	97.1	Very high	23 Å²	23	24.2 Å²	24.2	11%	0.107	12%	0.123	C	C	.	.	S	Bend	trans	46.7	59.9	166.3	-61	-173	156.3	0	0	115.1	Q143 P240 E283 T286 H323 Y325	Q143-E238 PolarHBondContact NE2-O 2.95Å; E238-P240 WeakPolarHBondContact O-CD 3.16Å; E238-E283 PolarHBondContact N-OE2 3.12Å; E238-T286 WeakPolarHBondContact CB-OG1 3.35Å; E238-T286 HydrophobicContact CG-CG2 4.35Å; E238-H323 WeakPolarHBondContact CG-ND1 3.4Å; E238-H323 IonicContact OE1-CE1 2.75Å; E238-H323 IonicContact OE1-CG 2.72Å; E238-H323 IonicContact OE1-ND1 3.03Å; E238-H323 PolarHBondContact OE1-ND1 2.93Å; E238-Y325 WeakPolarHBondContact OE1-CE2 3.34Å
239	P	96.5	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.			trans	-64.8	128.9	179.9	27.5	-35.1	0	0	0	111.8	Y203 I236 L260 E283 S284 V285	Y203-P239 WeakPolarHBondContact OH-CB 3.09Å; I236-P239 HydrophobicContact CG2-CB 4.1Å; I236-P239 HydrophobicContact CG2-CG 4.26Å; P239-L260 HydrophobicContact CB-CD1 3.88Å; P239-L260 HydrophobicContact CB-CD2 3.57Å; P239-L260 HydrophobicContact CB-CG 4.38Å; P239-L260 HydrophobicContact CG-CD1 3.81Å; P239-L260 HydrophobicContact CG-CD2 4.09Å; P239-E283 HydrophobicContact CG-CB 4.37Å; P239-S284 WeakPolarHBondContact CD-O 3.38Å; P239-S284 WeakPolarHBondContact CG-O 3.35Å; P239-V285 VanDerWaalsContact O-CA 3.26Å; P239-V285 WeakPolarHBondContact O-CA 3.26Å; P239-V285 WeakPolarHBondContact O-CG1 3.33Å
240	P	95.7	Very high	97	Very high	16 Å²	16	27 Å²	27	10%	0.104	14%	0.137	C	C	.	.			trans	-78.6	168.9	173.6	32.1	-37.2	0	0	0	112.8	Y190 F199 Y203 E238 G242	Y190-P240 HydrophobicContact CD1-CB 3.86Å; Y190-P240 HydrophobicContact CD1-CG 3.81Å; Y190-P240 HydrophobicContact CE1-CB 4.19Å; Y190-P240 HydrophobicContact CE1-CG 3.82Å; F199-P240 HydrophobicContact CB-CG 3.94Å; F199-P240 HydrophobicContact CD1-CG 3.5Å; F199-P240 HydrophobicContact CD2-CG 3.28Å; F199-P240 VanDerWaalsContact CE1-CD 3.43Å; F199-P240 HydrophobicContact CE1-CG 3.67Å; F199-P240 HydrophobicContact CE2-CG 3.48Å; F199-P240 VanDerWaalsContact CE2-CG 3.48Å; F199-P240 HydrophobicContact CG-CG 3.28Å; F199-P240 HydrophobicContact CZ-CG 3.64Å; Y203-P240 WeakPolarHBondContact CE2-O 3.44Å; Y203-P240 WeakPolarHBondContact OH-CD 3.46Å; Y203-P240 PolarHBondContact OH-O 3.07Å; E238-P240 WeakPolarHBondContact O-CD 3.16Å; P240-G242 VanDerWaalsContact C-N 3.26Å; P240-G242 PolarHBondContact O-N 3.05Å; P240-G242 VanDerWaalsContact O-N 3.13Å
241	P	94.4	Very high	96.9	Very high	15 Å²	15	31.1 Å²	31.1	10%	0.097	16%	0.158	C	C	.	.			trans	-70.1	-4.2	-173.8	23.6	-33.9	0	0	0	117.4	F244 L250 L251 A256 V285	P241-F244 HydrophobicContact CG-CD1 4.43Å; P241-L250 HydrophobicContact CB-CB 4.37Å; P241-L250 WeakPolarHBondContact CB-O 3.49Å; P241-L250 WeakPolarHBondContact O-CB 3.19Å; P241-L251 HydrophobicContact CG-CD2 4.22Å; P241-A256 HydrophobicContact CB-CB 3.85Å; P241-V285 HydrophobicContact CB-CG1 4.36Å
242	G	95.9	Very high	96.6	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.031	18%	0.175	C	C	.	.			trans	86.2	-157.1	-170.4	0	0	0	0	0	112.7	A196 P240 F244	A196-G242 CarbonylContact O-C 3.48Å; P240-G242 VanDerWaalsContact C-N 3.26Å; P240-G242 PolarHBondContact O-N 3.05Å; P240-G242 VanDerWaalsContact O-N 3.13Å; G242-F244 WeakPolarHBondContact O-CD1 3.4Å; G242-F244 PolarHBondContact O-N 3.18Å
243	N	97.2	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.			trans	-83.8	79.3	-167.7	-163	-18.1	0	0	0	113.2	A196 E200 Y245 L246 N247	A196-N243 HydrophobicContact CB-CB 4.43Å; A196-N243 PolarHBondContact O-N 2.98Å; E200-N243 HydrophobicContact CB-CB 3.77Å; E200-N243 HydrophobicContact CG-CB 4.24Å; E200-N243 WeakPolarHBondContact OE2-CB 3.46Å; N243-Y245 PolarHBondContact O-N 2.89Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.47Å; N243-Y245 PolarHBondContact OD1-N 3.12Å; N243-L246 WeakPolarHBondContact ND2-CD1 3.49Å; N243-L246 PolarHBondContact O-N 3.14Å; N243-L246 VanDerWaalsContact O-N 3.14Å; N243-L246 PolarHBondContact OD1-N 2.97Å; N243-N247 PolarHBondContact O-N 2.94Å
244	F	97.1	Very high	95.8	Very high	42 Å²	42	36 Å²	36	18%	0.184	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.7	178.2	59	-95.8	0	0	0	114.4	A196 P241 G242 N247 P248 L251	A196-F244 HydrophobicContact CB-CD1 4.2Å; A196-F244 HydrophobicContact CB-CE1 3.9Å; A196-F244 HydrophobicContact CB-CZ 4.49Å; P241-F244 HydrophobicContact CG-CD1 4.43Å; G242-F244 WeakPolarHBondContact O-CD1 3.4Å; G242-F244 PolarHBondContact O-N 3.18Å; F244-N247 WeakPolarHBondContact CA-O 3.07Å; F244-N247 CarbonylContact O-C 3.55Å; F244-P248 VanDerWaalsContact O-CA 3.23Å; F244-P248 WeakPolarHBondContact O-CA 3.44Å; F244-L251 HydrophobicContact CB-CD1 4.36Å; F244-L251 HydrophobicContact CB-CD2 3.81Å; F244-L251 HydrophobicContact CB-CG 3.74Å; F244-L251 HydrophobicContact CD1-CD2 4.03Å; F244-L251 HydrophobicContact CD2-CD2 4.36Å; F244-L251 HydrophobicContact CG-CD2 3.81Å; F244-L251 HydrophobicContact CG-CG 4.21Å
245	Y	97.3	Very high	95.5	Very high	77 Å²	77	38.4 Å²	38.4	30%	0.302	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-36	171.5	-65.9	-86	0	0	0	112.2	W175 P176 A191 Y193 A196 N243	W175-Y245 HydrophobicContact CH2-CD1 4.05Å; W175-Y245 AromaticContact CH2-CE1 3.92Å; W175-Y245 HydrophobicContact CH2-CE1 3.92Å; W175-Y245 AromaticContact CZ3-CD1 3.83Å; W175-Y245 HydrophobicContact CZ3-CD1 3.83Å; W175-Y245 AromaticContact CZ3-CE1 3.6Å; W175-Y245 HydrophobicContact CZ3-CE1 3.6Å; W175-Y245 HydrophobicContact CZ3-CG 4.44Å; P176-Y245 WeakPolarHBondContact CD-OH 3.37Å; P176-Y245 WeakPolarHBondContact CG-OH 3.21Å; A191-Y245 PolarHBondContact O-OH 3.32Å; Y193-Y245 HydrophobicContact CD2-CD1 4.17Å; Y193-Y245 AromaticContact CD2-CD2 3.64Å; Y193-Y245 HydrophobicContact CD2-CD2 3.64Å; Y193-Y245 HydrophobicContact CD2-CE2 4.39Å; Y193-Y245 AromaticContact CD2-CG 3.52Å; Y193-Y245 HydrophobicContact CD2-CG 3.52Å; Y193-Y245 HydrophobicContact CE2-CD2 4.46Å; Y193-Y245 HydrophobicContact CE2-CG 4.13Å; Y193-Y245 HydrophobicContact CG-CD2 4.17Å; Y193-Y245 HydrophobicContact CG-CG 4.46Å; A196-Y245 HydrophobicContact CB-CD2 4.19Å; A196-Y245 HydrophobicContact CB-CE2 4.35Å; N243-Y245 PolarHBondContact O-N 2.89Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.47Å; N243-Y245 PolarHBondContact OD1-N 3.12Å
246	L	96.7	Very high	95.3	Very high	111 Å²	111	38.5 Å²	38.5	58%	0.581	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-33.5	176.6	-64.4	-176.9	0	0	0	112	N243	N243-L246 WeakPolarHBondContact ND2-CD1 3.49Å; N243-L246 PolarHBondContact O-N 3.14Å; N243-L246 VanDerWaalsContact O-N 3.14Å; N243-L246 PolarHBondContact OD1-N 2.97Å
247	N	97	Very high	95.2	Very high	57 Å²	57	38.4 Å²	38.4	31%	0.305	20%	0.197	S	C	.	.			trans	-137.8	94.1	176.4	-178.3	8.9	0	0	0	111	N243 F244 F249 L250	N243-N247 PolarHBondContact O-N 2.94Å; F244-N247 WeakPolarHBondContact CA-O 3.07Å; F244-N247 CarbonylContact O-C 3.55Å; N247-F249 PolarHBondContact O-N 3.18Å; N247-F249 VanDerWaalsContact O-N 3.07Å; N247-F249 WeakPolarHBondContact OD1-CB 3.48Å; N247-F249 WeakPolarHBondContact OD1-CD2 3.21Å; N247-F249 PolarHBondContact OD1-N 2.67Å; N247-L250 HydrophobicContact CB-CD1 4.08Å; N247-L250 HydrophobicContact CB-CG 4.11Å; N247-L250 WeakPolarHBondContact O-CB 3.38Å; N247-L250 WeakPolarHBondContact O-CG 3.35Å; N247-L250 PolarHBondContact O-N 2.65Å
248	P	96.8	Very high	94.9	Very high	83 Å²	83	42.5 Å²	42.5	54%	0.539	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-62.3	-20.7	-176.5	24.8	-34.3	0	0	0	113.4	F244 L250 L251	F244-P248 VanDerWaalsContact O-CA 3.23Å; F244-P248 WeakPolarHBondContact O-CA 3.44Å; P248-L250 PolarHBondContact O-N 3.27Å; P248-L251 WeakPolarHBondContact O-CB 3.42Å; P248-L251 PolarHBondContact O-N 3.01Å; P248-L251 VanDerWaalsContact O-N 3.14Å
249	F	95	Very high	94.7	Very high	130 Å²	130	43.6 Å²	43.6	57%	0.57	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-65.6	-17	175.1	-65	-71.2	0	0	0	113.4	N247 L251 L252 I255	N247-F249 PolarHBondContact O-N 3.18Å; N247-F249 VanDerWaalsContact O-N 3.07Å; N247-F249 WeakPolarHBondContact OD1-CB 3.48Å; N247-F249 WeakPolarHBondContact OD1-CD2 3.21Å; N247-F249 PolarHBondContact OD1-N 2.67Å; F249-L251 PolarHBondContact O-N 2.9Å; F249-L252 HydrophobicContact CD1-CD1 4.16Å; F249-L252 WeakPolarHBondContact O-CB 3.46Å; F249-L252 PolarHBondContact O-N 3.25Å; F249-I255 HydrophobicContact CB-CD1 3.68Å; F249-I255 HydrophobicContact CG-CD1 4.48Å
250	L	95.4	Very high	94.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-61.9	-21.8	172.4	-71.5	174.6	0	0	0	112.6	P241 N247 P248 L252 I255 A256	P241-L250 HydrophobicContact CB-CB 4.37Å; P241-L250 WeakPolarHBondContact CB-O 3.49Å; P241-L250 WeakPolarHBondContact O-CB 3.19Å; N247-L250 HydrophobicContact CB-CD1 4.08Å; N247-L250 HydrophobicContact CB-CG 4.11Å; N247-L250 WeakPolarHBondContact O-CB 3.38Å; N247-L250 WeakPolarHBondContact O-CG 3.35Å; N247-L250 PolarHBondContact O-N 2.65Å; P248-L250 PolarHBondContact O-N 3.27Å; L250-L252 PolarHBondContact O-N 2.96Å; L250-I255 HydrophobicContact CD2-CG2 4.1Å; L250-A256 WeakPolarHBondContact O-CB 3.23Å
251	L	94.7	Very high	94.7	Very high	86 Å²	86	43.6 Å²	43.6	45%	0.45	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-66.4	-14.4	171.5	-64.2	173.9	0	0	0	113.2	P241 F244 P248 F249 Y287	P241-L251 HydrophobicContact CG-CD2 4.22Å; F244-L251 HydrophobicContact CB-CD1 4.36Å; F244-L251 HydrophobicContact CB-CD2 3.81Å; F244-L251 HydrophobicContact CB-CG 3.74Å; F244-L251 HydrophobicContact CD1-CD2 4.03Å; F244-L251 HydrophobicContact CD2-CD2 4.36Å; F244-L251 HydrophobicContact CG-CD2 3.81Å; F244-L251 HydrophobicContact CG-CG 4.21Å; P248-L251 WeakPolarHBondContact O-CB 3.42Å; P248-L251 PolarHBondContact O-N 3.01Å; P248-L251 VanDerWaalsContact O-N 3.14Å; F249-L251 PolarHBondContact O-N 2.9Å; L251-Y287 PolarHBondContact O-OH 3.44Å
252	L	93.6	Very high	94.8	Very high	74 Å²	74	47.6 Å²	47.6	39%	0.387	24%	0.241	S	C	.	.	S	Bend	trans	-85	120.2	170.5	-56.8	175	0	0	0	108.4	F249 L250 N254 I255 A256	F249-L252 HydrophobicContact CD1-CD1 4.16Å; F249-L252 WeakPolarHBondContact O-CB 3.46Å; F249-L252 PolarHBondContact O-N 3.25Å; L250-L252 PolarHBondContact O-N 2.96Å; L252-N254 WeakPolarHBondContact CB-OD1 3.38Å; L252-N254 PolarHBondContact O-N 3.23Å; L252-N254 VanDerWaalsContact O-N 3.17Å; L252-I255 HydrophobicContact CB-CD1 4.4Å; L252-I255 HydrophobicContact CD1-CD1 4.25Å; L252-I255 PolarHBondContact O-N 3.38Å; L252-A256 PolarHBondContact O-N 3.42Å
253	P	92	Very high	94.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-23.4	-169.2	30.8	-36.9	0	0	0	112.2	I255 G257 V285 Y287 F291 G299	P253-I255 PolarHBondContact O-N 3.28Å; P253-G257 PolarHBondContact O-N 2.93Å; P253-V285 HydrophobicContact CB-CG2 3.36Å; P253-Y287 HydrophobicContact CB-CD2 4.21Å; P253-Y287 HydrophobicContact CB-CE2 3.81Å; P253-Y287 HydrophobicContact CG-CD2 4.3Å; P253-Y287 HydrophobicContact CG-CE2 4.08Å; P253-F291 HydrophobicContact CG-CB 3.76Å; P253-F291 HydrophobicContact CG-CD1 3.94Å; P253-F291 HydrophobicContact CG-CD2 3.66Å; P253-F291 HydrophobicContact CG-CE1 4.46Å; P253-F291 HydrophobicContact CG-CE2 4.23Å; P253-F291 HydrophobicContact CG-CG 3.49Å; P253-F291 VanDerWaalsContact CG-CG 3.49Å; P253-G299 CarbonylContact C-O 3.57Å; P253-G299 WeakPolarHBondContact CB-O 3.36Å; P253-G299 WeakPolarHBondContact CG-O 3.49Å
254	N	89	Confident	94.9	Very high	33 Å²	33	47.4 Å²	47.4	18%	0.176	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-24.3	173.7	68.8	-35.8	0	0	0	113.9	L252 Q258 I297 G301	L252-N254 WeakPolarHBondContact CB-OD1 3.38Å; L252-N254 PolarHBondContact O-N 3.23Å; L252-N254 VanDerWaalsContact O-N 3.17Å; N254-Q258 PolarHBondContact O-NE2 3.45Å; N254-I297 HydrophobicContact CB-CB 4.49Å; N254-I297 HydrophobicContact CB-CG2 3.92Å; N254-G301 VanDerWaalsContact CA-CA 3.42Å; N254-G301 WeakPolarHBondContact O-CA 3.44Å
255	I	91.9	Very high	95	Very high	51 Å²	51	46 Å²	46	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-93.5	-46.8	177.6	-63.1	174.3	0	0	0	109.9	F249 L250 L252 P253 G257 Q258	F249-I255 HydrophobicContact CB-CD1 3.68Å; F249-I255 HydrophobicContact CG-CD1 4.48Å; L250-I255 HydrophobicContact CD2-CG2 4.1Å; L252-I255 HydrophobicContact CB-CD1 4.4Å; L252-I255 HydrophobicContact CD1-CD1 4.25Å; L252-I255 PolarHBondContact O-N 3.38Å; P253-I255 PolarHBondContact O-N 3.28Å; I255-G257 VanDerWaalsContact C-N 3.29Å; I255-G257 PolarHBondContact O-N 3.04Å; I255-Q258 PolarHBondContact O-N 3.18Å
256	A	94.4	Very high	95	Very high	2 Å²	2	45 Å²	45	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-40.3	176.6	0	0	0	0	0	112.7	P241 L250 L252 Q258 N259 L260 V285	P241-A256 HydrophobicContact CB-CB 3.85Å; L250-A256 WeakPolarHBondContact O-CB 3.23Å; L252-A256 PolarHBondContact O-N 3.42Å; A256-Q258 PolarHBondContact O-N 2.83Å; A256-N259 PolarHBondContact O-N 3.25Å; A256-L260 PolarHBondContact O-N 3.35Å; A256-V285 HydrophobicContact CB-CG1 3.77Å
257	G	94.1	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-28.3	179.8	0	0	0	0	0	114.7	P253 I255 L260 L261 T300	P253-G257 PolarHBondContact O-N 2.93Å; I255-G257 VanDerWaalsContact C-N 3.29Å; I255-G257 PolarHBondContact O-N 3.04Å; G257-L260 PolarHBondContact O-N 3.23Å; G257-L261 WeakPolarHBondContact O-CB 3.01Å; G257-L261 PolarHBondContact O-N 2.98Å; G257-T300 VanDerWaalsContact CA-O 3.29Å; G257-T300 WeakPolarHBondContact CA-O 3.43Å
258	Q	91.6	Very high	95.2	Very high	87 Å²	87	37.3 Å²	37.3	41%	0.407	19%	0.19	S	C	.	.	H	α-helix	trans	-68.7	-40.7	178	-65.8	179.3	23.3	0	0	111.7	N254 I255 A256 L261 L262	N254-Q258 PolarHBondContact O-NE2 3.45Å; I255-Q258 PolarHBondContact O-N 3.18Å; A256-Q258 PolarHBondContact O-N 2.83Å; Q258-L261 PolarHBondContact O-N 3.49Å; Q258-L262 PolarHBondContact O-N 2.62Å
259	N	91.9	Very high	95.2	Very high	46 Å²	46	36.9 Å²	36.9	25%	0.246	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-40.6	176.1	-67.8	-24.1	0	0	0	111	A256 L261 L262 F263	A256-N259 PolarHBondContact O-N 3.25Å; N259-L261 VanDerWaalsContact C-N 3.35Å; N259-L262 PolarHBondContact O-N 3.01Å; N259-F263 PolarHBondContact O-N 3.44Å
260	L	96.1	Very high	95.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-41.5	174.4	-79.5	167.5	0	0	0	112.2	Y203 P239 A256 G257 L262 F263 Y264 V285 M302	Y203-L260 HydrophobicContact CD1-CD2 3.8Å; Y203-L260 HydrophobicContact CE1-CD2 3.3Å; Y203-L260 HydrophobicContact CE1-CG 4.31Å; Y203-L260 HydrophobicContact CE2-CD2 4.33Å; P239-L260 HydrophobicContact CB-CD1 3.88Å; P239-L260 HydrophobicContact CB-CD2 3.57Å; P239-L260 HydrophobicContact CB-CG 4.38Å; P239-L260 HydrophobicContact CG-CD1 3.81Å; P239-L260 HydrophobicContact CG-CD2 4.09Å; A256-L260 PolarHBondContact O-N 3.35Å; G257-L260 PolarHBondContact O-N 3.23Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-L262 PolarHBondContact O-N 2.88Å; L260-F263 WeakPolarHBondContact O-CB 3.33Å; L260-F263 PolarHBondContact O-N 3.15Å; L260-Y264 HydrophobicContact CD2-CE1 4.38Å; L260-Y264 VanDerWaalsContact O-CG 3.3Å; L260-Y264 PolarHBondContact O-N 3.14Å; L260-V285 HydrophobicContact CD1-CG1 3.81Å; L260-M302 HydrophobicContact CB-CE 3.58Å; L260-M302 HydrophobicContact CD1-CE 4.26Å
261	L	96.5	Very high	95.5	Very high	14 Å²	14	30.7 Å²	30.7	7%	0.073	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-42.1	179.8	-176.5	57.7	0	0	0	112.2	G257 Q258 N259 F263 Y264 D265 M302 R304 P306	G257-L261 WeakPolarHBondContact O-CB 3.01Å; G257-L261 PolarHBondContact O-N 2.98Å; Q258-L261 PolarHBondContact O-N 3.49Å; N259-L261 VanDerWaalsContact C-N 3.35Å; L261-F263 VanDerWaalsContact C-N 3.33Å; L261-F263 PolarHBondContact O-N 3.43Å; L261-Y264 PolarHBondContact O-N 3Å; L261-D265 VanDerWaalsContact O-CG 3.31Å; L261-D265 PolarHBondContact O-N 3.06Å; L261-M302 HydrophobicContact CB-CG 4.24Å; L261-M302 HydrophobicContact CD2-CB 4.5Å; L261-R304 HydrophobicContact CD2-CG 3.92Å; L261-P306 HydrophobicContact CD1-CB 4.43Å; L261-P306 HydrophobicContact CD1-CG 4.02Å
262	L	95.9	Very high	95.7	Very high	99 Å²	99	27.8 Å²	27.8	52%	0.518	14%	0.139	S	C	.	.	H	α-helix	trans	-62.3	-41.5	176.4	-68	175.8	0	0	0	112.1	W210 Q258 N259 L260 Y266	W210-L262 HydrophobicContact CH2-CB 4.3Å; Q258-L262 PolarHBondContact O-N 2.62Å; N259-L262 PolarHBondContact O-N 3.01Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-L262 PolarHBondContact O-N 2.88Å; L262-Y266 PolarHBondContact O-N 3.41Å
263	F	97.9	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-45	174.2	171.5	-133.3	0	0	0	111.3	I202 Y203 W210 F213 N259 L260 L261 Y266 L267	I202-F263 HydrophobicContact CG2-CE1 4.34Å; I202-F263 HydrophobicContact CG2-CE2 4.42Å; I202-F263 HydrophobicContact CG2-CZ 4.12Å; Y203-F263 HydrophobicContact CD1-CD1 4.22Å; Y203-F263 HydrophobicContact CE1-CD1 4.46Å; W210-F263 AromaticContact CD1-CD2 3.39Å; W210-F263 AromaticContact CD1-CE2 3.65Å; W210-F263 HydrophobicContact CD2-CD2 4.18Å; W210-F263 AromaticContact CE2-CD2 3.75Å; W210-F263 AromaticContact CG-CD2 3.97Å; W210-F263 HydrophobicContact CG-CD2 3.97Å; W210-F263 HydrophobicContact CG-CE2 4.27Å; W210-F263 HydrophobicContact CZ2-CB 3.97Å; W210-F263 HydrophobicContact CZ2-CD2 4.49Å; W210-F263 AromaticContact NE1-CD2 3.24Å; W210-F263 AromaticContact NE1-CE2 3.96Å; W210-F263 AromaticContact NE1-CG 3.9Å; F213-F263 HydrophobicContact CB-CE2 4.21Å; F213-F263 HydrophobicContact CB-CZ 4.31Å; F213-F263 HydrophobicContact CD1-CE2 4.44Å; F213-F263 AromaticContact CD1-CZ 3.73Å; F213-F263 HydrophobicContact CD1-CZ 3.73Å; F213-F263 HydrophobicContact CD2-CE2 4.2Å; F213-F263 HydrophobicContact CD2-CZ 4.08Å; F213-F263 AromaticContact CE1-CZ 3.95Å; F213-F263 HydrophobicContact CE1-CZ 3.95Å; F213-F263 HydrophobicContact CE2-CZ 4.29Å; F213-F263 HydrophobicContact CG-CE2 4.05Å; F213-F263 AromaticContact CG-CZ 3.79Å; F213-F263 HydrophobicContact CG-CZ 3.79Å; F213-F263 HydrophobicContact CZ-CZ 4.23Å; N259-F263 PolarHBondContact O-N 3.44Å; L260-F263 WeakPolarHBondContact O-CB 3.33Å; L260-F263 PolarHBondContact O-N 3.15Å; L261-F263 VanDerWaalsContact C-N 3.33Å; L261-F263 PolarHBondContact O-N 3.43Å; F263-Y266 WeakPolarHBondContact O-CB 3.38Å; F263-Y266 PolarHBondContact O-N 3.07Å; F263-L267 HydrophobicContact CD2-CD1 4.32Å; F263-L267 HydrophobicContact CD2-CD2 4.46Å; F263-L267 HydrophobicContact CD2-CG 4.12Å; F263-L267 HydrophobicContact CE1-CD1 3.97Å; F263-L267 HydrophobicContact CE2-CD1 3.74Å; F263-L267 HydrophobicContact CE2-CD2 3.82Å; F263-L267 HydrophobicContact CE2-CG 3.77Å; F263-L267 HydrophobicContact CZ-CD1 3.56Å; F263-L267 HydrophobicContact CZ-CD2 4.36Å; F263-L267 HydrophobicContact CZ-CG 4.14Å; F263-L267 WeakPolarHBondContact O-CG 3.45Å; F263-L267 PolarHBondContact O-N 3.13Å; F263-L267 VanDerWaalsContact O-N 3.1Å
264	Y	98.3	Very high	96	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-38.9	178.7	-66.1	-15	0	0	0	113.3	L235 I236 L260 L261 Y266 L267 V268 E283 M302 P306	L235-Y264 HydrophobicContact CB-CD1 4.06Å; L235-Y264 HydrophobicContact CB-CE1 3.94Å; L235-Y264 HydrophobicContact CD1-CD1 3.56Å; L235-Y264 HydrophobicContact CD1-CD2 4.18Å; L235-Y264 HydrophobicContact CD1-CE1 4.19Å; L235-Y264 HydrophobicContact CD1-CG 3.55Å; L235-Y264 HydrophobicContact CG-CD1 4.48Å; I236-Y264 HydrophobicContact CG2-CE1 3.59Å; I236-Y264 WeakPolarHBondContact CG2-OH 3.23Å; L260-Y264 HydrophobicContact CD2-CE1 4.38Å; L260-Y264 VanDerWaalsContact O-CG 3.3Å; L260-Y264 PolarHBondContact O-N 3.14Å; L261-Y264 PolarHBondContact O-N 3Å; Y264-Y266 PolarHBondContact O-N 2.99Å; Y264-L267 PolarHBondContact O-N 3.01Å; Y264-L267 VanDerWaalsContact O-N 3.16Å; Y264-V268 WeakPolarHBondContact O-CB 3.44Å; Y264-V268 WeakPolarHBondContact O-CG2 3.46Å; Y264-V268 PolarHBondContact O-N 3.36Å; Y264-E283 WeakPolarHBondContact CE2-O 3.43Å; Y264-E283 PolarHBondContact OH-O 2.78Å; Y264-M302 HydrophobicContact CD2-CE 3.93Å; Y264-M302 HydrophobicContact CD2-SD 4.33Å; Y264-M302 HydrophobicContact CE2-CE 3.53Å; Y264-M302 HydrophobicContact CE2-SD 4.25Å; Y264-P306 HydrophobicContact CD2-CG 3.94Å; Y264-P306 HydrophobicContact CG-CG 4.29Å
265	D	98	Very high	96.4	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.064	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-42.2	174.4	-72.7	-36.4	0	0	0	112	L261 N269 R304 P306 G307	L261-D265 VanDerWaalsContact O-CG 3.31Å; L261-D265 PolarHBondContact O-N 3.06Å; D265-N269 VanDerWaalsContact O-CB 3.31Å; D265-N269 WeakPolarHBondContact O-CB 3.15Å; D265-N269 PolarHBondContact O-N 3.05Å; D265-R304 VanDerWaalsContact CG-NH1 3.28Å; D265-R304 IonicContact OD1-CZ 3.08Å; D265-R304 IonicContact OD1-NH1 3.78Å; D265-R304 PolarHBondContact OD1-NH1 3.04Å; D265-R304 IonicContact OD1-NH2 3.68Å; D265-R304 IonicContact OD2-CZ 2.7Å; D265-R304 VanDerWaalsContact OD2-CZ 3.28Å; D265-R304 IonicContact OD2-NH1 2.62Å; D265-R304 PolarHBondContact OD2-NH1 2.82Å; D265-R304 VanDerWaalsContact OD2-NH1 3.1Å; D265-R304 IonicContact OD2-NH2 3.28Å; D265-R304 PolarHBondContact OD2-NH2 3.24Å; D265-P306 WeakPolarHBondContact OD1-CA 3.37Å; D265-G307 PolarHBondContact OD1-N 3.07Å
266	Y	98.1	Very high	96.6	Very high	57 Å²	57	34.9 Å²	34.9	22%	0.224	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-47.3	176.4	177.8	-92.3	0	0	0	111.4	W210 N211 A214 L262 F263 Y264 N269 V270	W210-Y266 HydrophobicContact CB-CD1 3.63Å; W210-Y266 HydrophobicContact CB-CE1 3.47Å; W210-Y266 VanDerWaalsContact CB-CE1 3.47Å; W210-Y266 HydrophobicContact CB-CG 4.37Å; W210-Y266 HydrophobicContact CD2-CD1 4.11Å; W210-Y266 HydrophobicContact CD2-CG 4.09Å; W210-Y266 AromaticContact CE3-CD1 3.85Å; W210-Y266 HydrophobicContact CE3-CD1 3.85Å; W210-Y266 AromaticContact CE3-CD2 3.7Å; W210-Y266 HydrophobicContact CE3-CD2 3.7Å; W210-Y266 HydrophobicContact CE3-CE1 4.49Å; W210-Y266 HydrophobicContact CE3-CE2 4.36Å; W210-Y266 AromaticContact CE3-CG 3.4Å; W210-Y266 HydrophobicContact CE3-CG 3.4Å; W210-Y266 VanDerWaalsContact CE3-CG 3.4Å; W210-Y266 HydrophobicContact CG-CD1 4.09Å; W210-Y266 HydrophobicContact CG-CE1 4.4Å; W210-Y266 HydrophobicContact CZ3-CD2 4.19Å; W210-Y266 AromaticContact CZ3-CG 4Å; W210-Y266 HydrophobicContact CZ3-CG 4Å; W210-Y266 WeakPolarHBondContact O-CE1 3.29Å; N211-Y266 PolarHBondContact OD1-OH 3.14Å; A214-Y266 HydrophobicContact CB-CE1 3.93Å; L262-Y266 PolarHBondContact O-N 3.41Å; F263-Y266 WeakPolarHBondContact O-CB 3.38Å; F263-Y266 PolarHBondContact O-N 3.07Å; Y264-Y266 PolarHBondContact O-N 2.99Å; Y266-N269 PolarHBondContact O-N 2.84Å; Y266-V270 HydrophobicContact CD1-CG2 4.4Å; Y266-V270 HydrophobicContact CE1-CG2 3.94Å; Y266-V270 WeakPolarHBondContact O-CG2 3.32Å; Y266-V270 PolarHBondContact O-N 3.17Å
267	L	98.5	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-43.8	178.5	-63.9	-172.8	0	0	0	112.5	F213 L235 F263 Y264 N269 V270 I271	F213-L267 HydrophobicContact CB-CD2 3.64Å; L235-L267 HydrophobicContact CB-CD1 4.33Å; L235-L267 HydrophobicContact CD2-CB 4.17Å; L235-L267 HydrophobicContact CD2-CD1 4.28Å; F263-L267 HydrophobicContact CD2-CD1 4.32Å; F263-L267 HydrophobicContact CD2-CD2 4.46Å; F263-L267 HydrophobicContact CD2-CG 4.12Å; F263-L267 HydrophobicContact CE1-CD1 3.97Å; F263-L267 HydrophobicContact CE2-CD1 3.74Å; F263-L267 HydrophobicContact CE2-CD2 3.82Å; F263-L267 HydrophobicContact CE2-CG 3.77Å; F263-L267 HydrophobicContact CZ-CD1 3.56Å; F263-L267 HydrophobicContact CZ-CD2 4.36Å; F263-L267 HydrophobicContact CZ-CG 4.14Å; F263-L267 WeakPolarHBondContact O-CG 3.45Å; F263-L267 PolarHBondContact O-N 3.13Å; F263-L267 VanDerWaalsContact O-N 3.1Å; Y264-L267 PolarHBondContact O-N 3.01Å; Y264-L267 VanDerWaalsContact O-N 3.16Å; L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 PolarHBondContact O-N 2.67Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.42Å; L267-V270 VanDerWaalsContact O-N 3.15Å; L267-I271 WeakPolarHBondContact O-CG1 3.27Å; L267-I271 PolarHBondContact O-N 3.41Å
268	V	98.6	Very high	96.8	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.036	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-42.9	177	173.4	0	0	0	0	110.5	L235 Y264 V270 I271 R272 I280 P306	L235-V268 HydrophobicContact CD1-CG2 4.21Å; Y264-V268 WeakPolarHBondContact O-CB 3.44Å; Y264-V268 WeakPolarHBondContact O-CG2 3.46Å; Y264-V268 PolarHBondContact O-N 3.36Å; V268-V270 VanDerWaalsContact C-N 3.26Å; V268-V270 PolarHBondContact O-N 3.28Å; V268-I271 PolarHBondContact O-N 2.87Å; V268-R272 HydrophobicContact CG1-CG 3.91Å; V268-R272 VanDerWaalsContact O-CB 3.3Å; V268-R272 WeakPolarHBondContact O-CB 3.47Å; V268-R272 WeakPolarHBondContact O-CG 3.28Å; V268-R272 PolarHBondContact O-N 3.21Å; V268-I280 HydrophobicContact CG1-CG1 4.38Å; V268-I280 HydrophobicContact CG2-CB 4.33Å; V268-I280 HydrophobicContact CG2-CD1 4.25Å; V268-I280 HydrophobicContact CG2-CG1 3.88Å; V268-I280 HydrophobicContact CG2-CG2 3.73Å; V268-P306 HydrophobicContact CG2-CB 3.76Å
269	N	98.1	Very high	97.2	Very high	74 Å²	74	34.5 Å²	34.5	40%	0.396	17%	0.172	S	C	.	.	H	α-helix	trans	-59.9	-37.6	175.2	-176.4	46.3	0	0	0	112.2	D265 Y266 L267 Q273	D265-N269 VanDerWaalsContact O-CB 3.31Å; D265-N269 WeakPolarHBondContact O-CB 3.15Å; D265-N269 PolarHBondContact O-N 3.05Å; Y266-N269 PolarHBondContact O-N 2.84Å; L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 PolarHBondContact O-N 2.67Å; N269-Q273 WeakPolarHBondContact O-CG 3.26Å
270	V	98.1	Very high	97.5	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-50.3	174.1	170.9	0	0	0	0	111.5	A214 R218 Y266 L267 V268 R272 Q273	A214-V270 HydrophobicContact CB-CB 4.33Å; A214-V270 HydrophobicContact CB-CG1 3.85Å; A214-V270 HydrophobicContact CB-CG2 3.77Å; R218-V270 HydrophobicContact CG-CG1 3.7Å; Y266-V270 HydrophobicContact CD1-CG2 4.4Å; Y266-V270 HydrophobicContact CE1-CG2 3.94Å; Y266-V270 WeakPolarHBondContact O-CG2 3.32Å; Y266-V270 PolarHBondContact O-N 3.17Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.42Å; L267-V270 VanDerWaalsContact O-N 3.15Å; V268-V270 VanDerWaalsContact C-N 3.26Å; V268-V270 PolarHBondContact O-N 3.28Å; V270-R272 VanDerWaalsContact C-N 3.27Å; V270-R272 PolarHBondContact O-N 3.26Å; V270-Q273 VanDerWaalsContact O-CB 3.29Å; V270-Q273 WeakPolarHBondContact O-CB 3.49Å; V270-Q273 PolarHBondContact O-N 2.97Å
271	I	98.7	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.1	-44.1	179.5	-74	165.6	0	0	0	110.6	W217 T221 Y233 L235 L267 V268 Q273 T274 D275 I280	W217-I271 HydrophobicContact CB-CD1 4.31Å; W217-I271 HydrophobicContact CB-CG1 3.82Å; W217-I271 HydrophobicContact CD2-CD1 3.81Å; W217-I271 HydrophobicContact CD2-CG1 4.23Å; W217-I271 HydrophobicContact CE3-CD1 3.91Å; W217-I271 HydrophobicContact CE3-CG1 4.28Å; W217-I271 HydrophobicContact CG-CD1 3.99Å; W217-I271 HydrophobicContact CG-CG1 4.06Å; T221-I271 HydrophobicContact CG2-CB 4.19Å; T221-I271 HydrophobicContact CG2-CG1 4.08Å; T221-I271 HydrophobicContact CG2-CG2 3.78Å; Y233-I271 HydrophobicContact CD2-CD1 4.43Å; Y233-I271 HydrophobicContact CD2-CG2 3.87Å; Y233-I271 HydrophobicContact CE2-CG2 3.99Å; L235-I271 HydrophobicContact CD2-CD1 3.64Å; L267-I271 WeakPolarHBondContact O-CG1 3.27Å; L267-I271 PolarHBondContact O-N 3.41Å; V268-I271 PolarHBondContact O-N 2.87Å; I271-Q273 PolarHBondContact O-N 3.36Å; I271-Q273 VanDerWaalsContact O-N 3.11Å; I271-T274 PolarHBondContact O-N 3.21Å; I271-T274 VanDerWaalsContact O-N 3.12Å; I271-T274 PolarHBondContact O-OG1 3.14Å; I271-D275 PolarHBondContact O-N 2.95Å; I271-I280 HydrophobicContact CD1-CD1 3.82Å; I271-I280 HydrophobicContact CG2-CD1 3.91Å
272	R	97.9	Very high	97.7	Very high	24 Å²	24	32.3 Å²	32.3	9%	0.091	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-7.6	-179.3	-64.8	-72.2	172.9	-115.9	5	112.9	V268 V270 T274 D275 K276 T278 K317	V268-R272 HydrophobicContact CG1-CG 3.91Å; V268-R272 VanDerWaalsContact O-CB 3.3Å; V268-R272 WeakPolarHBondContact O-CB 3.47Å; V268-R272 WeakPolarHBondContact O-CG 3.28Å; V268-R272 PolarHBondContact O-N 3.21Å; V270-R272 VanDerWaalsContact C-N 3.27Å; V270-R272 PolarHBondContact O-N 3.26Å; R272-T274 VanDerWaalsContact C-N 3.3Å; R272-D275 WeakPolarHBondContact CA-O 3.44Å; R272-D275 WeakPolarHBondContact CD-O 3.39Å; R272-D275 PolarHBondContact NH1-O 2.94Å; R272-K276 VanDerWaalsContact O-CD 3.23Å; R272-K276 WeakPolarHBondContact O-CD 3.29Å; R272-K276 WeakPolarHBondContact O-CE 3.4Å; R272-K276 PolarHBondContact O-NZ 3.05Å; R272-T278 VanDerWaalsContact CZ-O 3.31Å; R272-T278 PolarHBondContact NH1-O 3.12Å; R272-T278 PolarHBondContact NH2-O 2.94Å; R272-K317 PolarHBondContact NH2-O 3.24Å
273	Q	97	Very high	97.7	Very high	104 Å²	104	27.8 Å²	27.8	49%	0.486	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.9	170.8	-69.8	165.4	12.5	0	0	112.1	N269 V270 I271	N269-Q273 WeakPolarHBondContact O-CG 3.26Å; V270-Q273 VanDerWaalsContact O-CB 3.29Å; V270-Q273 WeakPolarHBondContact O-CB 3.49Å; V270-Q273 PolarHBondContact O-N 2.97Å; I271-Q273 PolarHBondContact O-N 3.36Å; I271-Q273 VanDerWaalsContact O-N 3.11Å
274	T	96.3	Very high	97.6	Very high	72 Å²	72	28 Å²	28	44%	0.442	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-26.7	-172.5	43.4	0	0	0	0	113.2	T221 I271 R272	T221-T274 WeakPolarHBondContact CB-OG1 3.33Å; T221-T274 PolarHBondContact OG1-OG1 3.49Å; I271-T274 PolarHBondContact O-N 3.21Å; I271-T274 VanDerWaalsContact O-N 3.12Å; I271-T274 PolarHBondContact O-OG1 3.14Å; R272-T274 VanDerWaalsContact C-N 3.3Å
275	D	97.2	Very high	97.5	Very high	11 Å²	11	28 Å²	28	6%	0.059	14%	0.137	C	C	.	.			trans	-134.4	110.6	177.2	-174.3	-22.5	0	0	0	111.6	T221 G225 Y233 I271 R272 D277 T278	T221-D275 HydrophobicContact CG2-CB 4.17Å; G225-D275 WeakPolarHBondContact CA-OD2 3.47Å; Y233-D275 HydrophobicContact CE2-CB 4.38Å; Y233-D275 PolarHBondContact OH-OD2 3.44Å; Y233-D275 VanDerWaalsContact OH-OD2 3.06Å; I271-D275 PolarHBondContact O-N 2.95Å; R272-D275 WeakPolarHBondContact CA-O 3.44Å; R272-D275 WeakPolarHBondContact CD-O 3.39Å; R272-D275 PolarHBondContact NH1-O 2.94Å; D275-D277 PolarHBondContact OD1-N 3.12Å; D275-T278 VanDerWaalsContact CG-OG1 3.3Å; D275-T278 PolarHBondContact OD1-N 2.93Å; D275-T278 PolarHBondContact OD1-OG1 3.22Å; D275-T278 WeakPolarHBondContact OD2-CB 3.45Å; D275-T278 PolarHBondContact OD2-OG1 3.1Å
276	K	95.5	Very high	97.2	Very high	122 Å²	122	29.6 Å²	29.6	53%	0.53	15%	0.147	S	C	.	.	S	Bend	trans	-82	-18.9	-175.6	-61.5	-62.2	-179.1	-178.1	0	114.1	R272 K317	R272-K276 VanDerWaalsContact O-CD 3.23Å; R272-K276 WeakPolarHBondContact O-CD 3.29Å; R272-K276 WeakPolarHBondContact O-CE 3.4Å; R272-K276 PolarHBondContact O-NZ 3.05Å; K276-K317 WeakPolarHBondContact O-CD 3.44Å; K276-K317 WeakPolarHBondContact O-CE 3.29Å; K276-K317 PolarHBondContact O-NZ 3.17Å
277	D	95.5	Very high	96.9	Very high	79 Å²	79	30.2 Å²	30.2	42%	0.422	15%	0.15	S	C	.	.	S	Bend	trans	-128.7	-27.2	-157.1	-60.9	-44	0	0	0	114.6	K45 D275 L279 K317	K45-D277 HydrophobicContact CB-CB 4.22Å; K45-D277 HydrophobicContact CG-CB 4Å; D275-D277 PolarHBondContact OD1-N 3.12Å; D277-L279 PolarHBondContact O-N 3.36Å; D277-K317 IonicContact OD1-NZ 3.65Å; D277-K317 PolarHBondContact OD1-NZ 2.63Å; D277-K317 VanDerWaalsContact OD1-NZ 3.08Å
278	T	97.7	Very high	96.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.15	C	C	.	.	S	Bend	trans	-59.7	136.6	176.9	-62	0	0	0	0	111	K45 V230 Y233 R272 D275	K45-T278 VanDerWaalsContact CE-OG1 3.3Å; K45-T278 WeakPolarHBondContact CE-OG1 3.38Å; K45-T278 PolarHBondContact NZ-OG1 2.73Å; V230-T278 HydrophobicContact CG1-CG2 3.93Å; Y233-T278 HydrophobicContact CD1-CG2 4.35Å; Y233-T278 HydrophobicContact CD2-CG2 3.71Å; Y233-T278 HydrophobicContact CE1-CG2 4.14Å; Y233-T278 HydrophobicContact CE2-CG2 3.46Å; Y233-T278 VanDerWaalsContact CE2-CG2 3.46Å; Y233-T278 HydrophobicContact CG-CG2 4.16Å; R272-T278 VanDerWaalsContact CZ-O 3.31Å; R272-T278 PolarHBondContact NH1-O 3.12Å; R272-T278 PolarHBondContact NH2-O 2.94Å; D275-T278 VanDerWaalsContact CG-OG1 3.3Å; D275-T278 PolarHBondContact OD1-N 2.93Å; D275-T278 PolarHBondContact OD1-OG1 3.22Å; D275-T278 WeakPolarHBondContact OD2-CB 3.45Å; D275-T278 PolarHBondContact OD2-OG1 3.1Å
279	L	98.3	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	147.5	-176.8	-58.8	176.8	0	0	0	111.8	V46 I48 F55 L231 G232 Y233 D277 F281 K317 V319	V46-L279 HydrophobicContact CG1-CD1 4.26Å; V46-L279 WeakPolarHBondContact O-CD2 3.44Å; I48-L279 HydrophobicContact CD1-CD1 4.26Å; I48-L279 HydrophobicContact CD1-CD2 4.42Å; I48-L279 HydrophobicContact CG1-CD2 4.14Å; F55-L279 HydrophobicContact CD1-CD1 3.74Å; F55-L279 HydrophobicContact CE1-CD1 3.69Å; L231-L279 HydrophobicContact CD1-CD1 3.79Å; L231-L279 HydrophobicContact CG-CD1 4.31Å; L231-L279 VanDerWaalsContact O-CB 3.27Å; L231-L279 WeakPolarHBondContact O-CB 3.4Å; L231-L279 WeakPolarHBondContact O-CG 3.38Å; L231-L279 PolarHBondContact O-N 2.82Å; G232-L279 CarbonylContact C-O 3.52Å; G232-L279 WeakPolarHBondContact CA-O 3.33Å; Y233-L279 PolarHBondContact N-O 3.43Å; D277-L279 PolarHBondContact O-N 3.36Å; L279-F281 HydrophobicContact CB-CD2 4.26Å; L279-F281 HydrophobicContact CB-CE2 3.87Å; L279-F281 HydrophobicContact CD1-CE2 4.21Å; L279-K317 CarbonylContact C-O 3.57Å; L279-K317 WeakPolarHBondContact CA-O 3.29Å; L279-V319 HydrophobicContact CB-CG2 4.23Å; L279-V319 HydrophobicContact CD1-CG2 4Å
280	I	98.6	Very high	96	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.2	170.9	-57.6	-59.6	0	0	0	108.6	Y233 L235 V268 I271 K317 S318 V319	Y233-I280 HydrophobicContact CD2-CD1 4.21Å; L235-I280 HydrophobicContact CD1-CG2 3.69Å; L235-I280 HydrophobicContact CD2-CG2 4.06Å; L235-I280 HydrophobicContact CG-CG2 3.78Å; V268-I280 HydrophobicContact CG1-CG1 4.38Å; V268-I280 HydrophobicContact CG2-CB 4.33Å; V268-I280 HydrophobicContact CG2-CD1 4.25Å; V268-I280 HydrophobicContact CG2-CG1 3.88Å; V268-I280 HydrophobicContact CG2-CG2 3.73Å; I271-I280 HydrophobicContact CD1-CD1 3.82Å; I271-I280 HydrophobicContact CG2-CD1 3.91Å; I280-K317 PolarHBondContact N-O 3.31Å; I280-S318 CarbonylContact O-C 3.59Å; I280-S318 WeakPolarHBondContact O-CA 3.11Å; I280-V319 PolarHBondContact O-N 3.17Å
281	F	98.6	Very high	95.7	Very high	13 Å²	13	32.1 Å²	32.1	6%	0.057	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.8	169.6	-74	-110.7	0	0	0	107.5	F55 I138 L231 Y233 E234 L235 L279 V319	F55-F281 HydrophobicContact CE1-CZ 4Å; F55-F281 HydrophobicContact CZ-CE1 4.42Å; F55-F281 HydrophobicContact CZ-CZ 4.21Å; I138-F281 HydrophobicContact CD1-CD1 4.2Å; I138-F281 HydrophobicContact CD1-CE1 3.64Å; I138-F281 HydrophobicContact CD1-CE2 4.44Å; I138-F281 HydrophobicContact CD1-CZ 3.79Å; I138-F281 HydrophobicContact CG1-CE1 4.32Å; I138-F281 HydrophobicContact CG1-CE2 4.25Å; I138-F281 HydrophobicContact CG1-CZ 4.04Å; I138-F281 HydrophobicContact CG2-CD2 4.36Å; I138-F281 HydrophobicContact CG2-CG 4.29Å; L231-F281 HydrophobicContact CD2-CZ 4.04Å; L231-F281 HydrophobicContact CG-CE2 4.17Å; L231-F281 HydrophobicContact CG-CZ 4.11Å; Y233-F281 PolarHBondContact O-N 3.02Å; E234-F281 VanDerWaalsContact CA-O 3.32Å; E234-F281 WeakPolarHBondContact CA-O 3.41Å; E234-F281 HydrophobicContact CB-CB 3.87Å; E234-F281 HydrophobicContact CG-CB 3.97Å; L235-F281 PolarHBondContact N-O 3.11Å; L279-F281 HydrophobicContact CB-CD2 4.26Å; L279-F281 HydrophobicContact CB-CE2 3.87Å; L279-F281 HydrophobicContact CD1-CE2 4.21Å; F281-V319 WeakPolarHBondContact CA-O 3.39Å; F281-V319 HydrophobicContact CD1-CB 3.98Å; F281-V319 HydrophobicContact CD1-CG1 3.83Å; F281-V319 HydrophobicContact CD2-CB 4.33Å; F281-V319 HydrophobicContact CD2-CG2 4.36Å; F281-V319 HydrophobicContact CE1-CB 4.05Å; F281-V319 HydrophobicContact CE1-CG1 3.66Å; F281-V319 HydrophobicContact CE1-CG2 4.31Å; F281-V319 HydrophobicContact CE2-CB 4.38Å; F281-V319 HydrophobicContact CE2-CG2 4.04Å; F281-V319 HydrophobicContact CG-CB 4.12Å; F281-V319 HydrophobicContact CG-CG1 4.47Å; F281-V319 HydrophobicContact CZ-CB 4.25Å; F281-V319 HydrophobicContact CZ-CG1 4.17Å; F281-V319 HydrophobicContact CZ-CG2 4.02Å
282	Y	98	Very high	95.3	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132	-177.7	66.2	-84.8	0	0	0	110.2	M302 V305 P306 V319 L320 S321	Y282-M302 HydrophobicContact CD2-SD 3.67Å; Y282-M302 HydrophobicContact CE2-SD 3.97Å; Y282-V305 HydrophobicContact CE1-CB 4.41Å; Y282-V305 HydrophobicContact CE1-CG1 4.25Å; Y282-P306 HydrophobicContact CD1-CG 4.08Å; Y282-P306 HydrophobicContact CD2-CG 4.01Å; Y282-P306 HydrophobicContact CG-CG 3.71Å; Y282-V319 WeakPolarHBondContact CD1-O 3.42Å; Y282-V319 VanDerWaalsContact CE1-O 3.32Å; Y282-V319 WeakPolarHBondContact CE1-O 3.18Å; Y282-V319 PolarHBondContact N-O 2.91Å; Y282-L320 HydrophobicContact CD2-CD1 4.29Å; Y282-L320 HydrophobicContact CE2-CB 4.38Å; Y282-L320 HydrophobicContact CE2-CD1 3.77Å; Y282-S321 PolarHBondContact O-N 2.93Å
283	E	97.3	Very high	95	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.7	-179.8	-54	-146.5	139.9	0	0	111.4	E234 E238 P239 Y264 M302 S321 H323	E234-E283 HydrophobicContact CG-CG 4.39Å; E238-E283 PolarHBondContact N-OE2 3.12Å; P239-E283 HydrophobicContact CG-CB 4.37Å; Y264-E283 WeakPolarHBondContact CE2-O 3.43Å; Y264-E283 PolarHBondContact OH-O 2.78Å; E283-M302 WeakPolarHBondContact O-CE 3.31Å; E283-S321 WeakPolarHBondContact CA-O 3.33Å; E283-S321 PolarHBondContact OE1-OG 3.43Å; E283-S321 VanDerWaalsContact OE1-OG 3.1Å; E283-H323 IonicContact OE1-CD2 2.68Å; E283-H323 PolarHBondContact OE1-CD2 3.14Å; E283-H323 IonicContact OE1-NE2 3.77Å; E283-H323 PolarHBondContact OE1-NE2 2.91Å
284	S	95.5	Very high	94.5	Very high	4 Å²	4	35 Å²	35	3%	0.028	18%	0.177	C	C	.	.			trans	-76.1	179.4	161.5	69.2	0	0	0	0	110.6	P239 T286	P239-S284 WeakPolarHBondContact CD-O 3.38Å; P239-S284 WeakPolarHBondContact CG-O 3.35Å; S284-T286 PolarHBondContact O-N 3.06Å
285	V	95.1	Very high	94.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.			trans	-52.2	139	159.2	-59.5	0	0	0	0	109.6	P239 P241 P253 A256 L260 Y287 G288	P239-V285 VanDerWaalsContact O-CA 3.26Å; P239-V285 WeakPolarHBondContact O-CA 3.26Å; P239-V285 WeakPolarHBondContact O-CG1 3.33Å; P241-V285 HydrophobicContact CB-CG1 4.36Å; P253-V285 HydrophobicContact CB-CG2 3.36Å; A256-V285 HydrophobicContact CB-CG1 3.77Å; L260-V285 HydrophobicContact CD1-CG1 3.81Å; V285-Y287 HydrophobicContact CB-CE1 4.26Å; V285-Y287 HydrophobicContact CG2-CD2 4.29Å; V285-Y287 HydrophobicContact CG2-CE1 4.23Å; V285-Y287 HydrophobicContact CG2-CE2 3.92Å; V285-Y287 PolarHBondContact O-N 2.84Å; V285-G288 PolarHBondContact O-N 2.85Å
286	T	91.5	Very high	93.7	Very high	45 Å²	45	41.7 Å²	41.7	28%	0.276	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.3	-164.1	-45.6	0	0	0	0	113.6	E238 S284 H323	E238-T286 WeakPolarHBondContact CB-OG1 3.35Å; E238-T286 HydrophobicContact CG-CG2 4.35Å; S284-T286 PolarHBondContact O-N 3.06Å; T286-H323 HydrophobicContact CG2-CB 4.39Å
287	Y	91.8	Very high	93.5	Very high	71 Å²	71	37.3 Å²	37.3	28%	0.278	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.4	179.6	56.9	-94.8	0	0	0	114.4	L251 P253 V285 I289 F290 F291	L251-Y287 PolarHBondContact O-OH 3.44Å; P253-Y287 HydrophobicContact CB-CD2 4.21Å; P253-Y287 HydrophobicContact CB-CE2 3.81Å; P253-Y287 HydrophobicContact CG-CD2 4.3Å; P253-Y287 HydrophobicContact CG-CE2 4.08Å; V285-Y287 HydrophobicContact CB-CE1 4.26Å; V285-Y287 HydrophobicContact CG2-CD2 4.29Å; V285-Y287 HydrophobicContact CG2-CE1 4.23Å; V285-Y287 HydrophobicContact CG2-CE2 3.92Å; V285-Y287 PolarHBondContact O-N 2.84Å; Y287-I289 VanDerWaalsContact C-N 3.25Å; Y287-I289 PolarHBondContact O-N 3.25Å; Y287-F290 WeakPolarHBondContact O-CB 3.44Å; Y287-F290 PolarHBondContact O-N 3.45Å; Y287-F291 HydrophobicContact CD2-CD2 4.14Å; Y287-F291 AromaticContact CD2-CE2 3.67Å; Y287-F291 HydrophobicContact CD2-CE2 3.67Å; Y287-F291 HydrophobicContact CD2-CZ 4.49Å; Y287-F291 HydrophobicContact CE2-CE2 4.33Å; Y287-F291 WeakPolarHBondContact O-CD2 3.1Å
288	G	93.1	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-60.6	-30.3	-174.5	0	0	0	0	0	114.1	V285 F290 F291 G299	V285-G288 PolarHBondContact O-N 2.85Å; G288-F290 PolarHBondContact O-N 2.88Å; G288-F291 PolarHBondContact O-N 3.27Å; G288-F291 VanDerWaalsContact O-N 3.09Å; G288-G299 CarbonylContact O-C 3.43Å; G288-G299 VanDerWaalsContact O-C 3.25Å
289	I	92.3	Very high	93	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-65.6	-21.2	176	64.9	173.1	0	0	0	113.3	Y287 F291 Y322 H323 A354 N357 V358	Y287-I289 VanDerWaalsContact C-N 3.25Å; Y287-I289 PolarHBondContact O-N 3.25Å; I289-F291 VanDerWaalsContact C-N 3.28Å; I289-Y322 HydrophobicContact CD1-CD2 3.7Å; I289-Y322 HydrophobicContact CD1-CG 4.37Å; I289-Y322 HydrophobicContact CG2-CD2 4.39Å; I289-Y322 HydrophobicContact CG2-CG 4.1Å; I289-H323 WeakPolarHBondContact CD1-O 3.39Å; I289-A354 HydrophobicContact CD1-CB 4.18Å; I289-A354 HydrophobicContact CG1-CB 4.44Å; I289-N357 VanDerWaalsContact O-CB 3.28Å; I289-N357 WeakPolarHBondContact O-CB 3.29Å; I289-N357 PolarHBondContact O-ND2 3.18Å; I289-V358 HydrophobicContact CB-CG2 3.99Å; I289-V358 HydrophobicContact CG2-CG2 3.81Å
290	F	92	Very high	92.9	Very high	42 Å²	42	33.8 Å²	33.8	18%	0.184	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-88.5	8	176.3	-59.3	-79.6	0	0	0	112.7	Y287 G288 Y324 L350 Y353 A354	Y287-F290 WeakPolarHBondContact O-CB 3.44Å; Y287-F290 PolarHBondContact O-N 3.45Å; G288-F290 PolarHBondContact O-N 2.88Å; F290-Y324 HydrophobicContact CE1-CD2 4.18Å; F290-Y324 AromaticContact CE1-CE2 3.91Å; F290-Y324 HydrophobicContact CE1-CE2 3.91Å; F290-Y324 AromaticContact CZ-CD2 3.93Å; F290-Y324 HydrophobicContact CZ-CD2 3.93Å; F290-Y324 AromaticContact CZ-CE2 3.98Å; F290-Y324 HydrophobicContact CZ-CE2 3.98Å; F290-L350 HydrophobicContact CE1-CB 4.33Å; F290-Y353 VanDerWaalsContact O-CE1 3.28Å; F290-Y353 WeakPolarHBondContact O-CE1 3.21Å; F290-A354 HydrophobicContact CD1-CB 4.04Å; F290-A354 HydrophobicContact CE1-CB 3.8Å; F290-A354 HydrophobicContact CZ-CB 4.45Å
291	F	92.1	Very high	92.7	Very high	78 Å²	78	33.8 Å²	33.8	34%	0.342	19%	0.189	S	C	.	.	S	Bend	trans	-110.9	138.3	175.9	-78.2	-105.5	0	0	0	110.5	P253 Y287 G288 I289 G299 N357	P253-F291 HydrophobicContact CG-CB 3.76Å; P253-F291 HydrophobicContact CG-CD1 3.94Å; P253-F291 HydrophobicContact CG-CD2 3.66Å; P253-F291 HydrophobicContact CG-CE1 4.46Å; P253-F291 HydrophobicContact CG-CE2 4.23Å; P253-F291 HydrophobicContact CG-CG 3.49Å; P253-F291 VanDerWaalsContact CG-CG 3.49Å; Y287-F291 HydrophobicContact CD2-CD2 4.14Å; Y287-F291 AromaticContact CD2-CE2 3.67Å; Y287-F291 HydrophobicContact CD2-CE2 3.67Å; Y287-F291 HydrophobicContact CD2-CZ 4.49Å; Y287-F291 HydrophobicContact CE2-CE2 4.33Å; Y287-F291 WeakPolarHBondContact O-CD2 3.1Å; G288-F291 PolarHBondContact O-N 3.27Å; G288-F291 VanDerWaalsContact O-N 3.09Å; I289-F291 VanDerWaalsContact C-N 3.28Å; F291-G299 WeakPolarHBondContact O-CA 3.34Å; F291-N357 PolarHBondContact O-ND2 3.35Å
292	P	90.1	Very high	92.5	Very high	56 Å²	56	33.2 Å²	33.2	36%	0.364	19%	0.187	S	C	.	.			trans	-75.6	177.6	177.1	33.7	-34.3	0	0	0	110.6	G299 Y353	P292-G299 PolarHBondContact O-N 3.39Å; P292-Y353 WeakPolarHBondContact CB-OH 3.37Å; P292-Y353 WeakPolarHBondContact CD-OH 3.29Å
293	F	91	Very high	92.3	Very high	63 Å²	63	38.4 Å²	38.4	28%	0.276	21%	0.211	S	C	.	.			trans	-65.1	136.3	165.1	-75.5	-107.7	0	0	0	110.8	I297 P298 S360 I361	F293-I297 CarbonylContact C-O 3.36Å; F293-I297 WeakPolarHBondContact CA-O 3.32Å; F293-P298 HydrophobicContact CD1-CB 4.14Å; F293-P298 HydrophobicContact CE1-CB 3.68Å; F293-P298 HydrophobicContact CE1-CG 4.27Å; F293-P298 HydrophobicContact CE2-CB 4.24Å; F293-P298 HydrophobicContact CZ-CB 3.75Å; F293-S360 WeakPolarHBondContact CE2-OG 3.03Å; F293-I361 HydrophobicContact CE2-CG1 3.86Å; F293-I361 HydrophobicContact CZ-CG1 4.14Å
294	V	87.5	Confident	92.2	Very high	69 Å²	69	40 Å²	40	42%	0.418	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-127.6	118.8	173.4	-178.4	0	0	0	0	108	G296 I297	V294-G296 PolarHBondContact O-N 2.81Å; V294-I297 PolarHBondContact N-O 2.79Å; V294-I297 WeakPolarHBondContact O-CB 3.36Å; V294-I297 PolarHBondContact O-N 3.4Å
295	N	87.7	Confident	92.2	Very high	164 Å²	164	39.8 Å²	39.8	88%	0.877	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	41.5	-176.2	-59.2	-27.6	0	0	0	113.4	I297	N295-I297 PolarHBondContact O-N 3.35Å
296	G	88.4	Confident	92.3	Very high	61 Å²	61	39.8 Å²	39.8	63%	0.629	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	-1.8	-179.4	0	0	0	0	0	115.2	V294	V294-G296 PolarHBondContact O-N 2.81Å
297	I	90.6	Very high	92.6	Very high	30 Å²	30	37.8 Å²	37.8	15%	0.154	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-93.4	126.6	177.3	-48.1	-172.3	0	0	0	108.8	N254 F293 V294 N295 Q303	N254-I297 HydrophobicContact CB-CB 4.49Å; N254-I297 HydrophobicContact CB-CG2 3.92Å; F293-I297 CarbonylContact C-O 3.36Å; F293-I297 WeakPolarHBondContact CA-O 3.32Å; V294-I297 PolarHBondContact N-O 2.79Å; V294-I297 WeakPolarHBondContact O-CB 3.36Å; V294-I297 PolarHBondContact O-N 3.4Å; N295-I297 PolarHBondContact O-N 3.35Å; I297-Q303 HydrophobicContact CG2-CG 4.2Å
298	P	92.9	Very high	92.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.199	C	C	.	.			trans	-62.6	156.6	177.6	23.4	-30.7	0	0	0	111.6	F293 T300 G301 M302 I361	F293-P298 HydrophobicContact CD1-CB 4.14Å; F293-P298 HydrophobicContact CE1-CB 3.68Å; F293-P298 HydrophobicContact CE1-CG 4.27Å; F293-P298 HydrophobicContact CE2-CB 4.24Å; F293-P298 HydrophobicContact CZ-CB 3.75Å; P298-T300 PolarHBondContact O-N 3.16Å; P298-T300 VanDerWaalsContact O-N 3.1Å; P298-G301 PolarHBondContact O-N 2.98Å; P298-M302 WeakPolarHBondContact CG-O 3.23Å; P298-I361 HydrophobicContact CB-CG1 3.81Å; P298-I361 HydrophobicContact CB-CG2 4.19Å
299	G	91.6	Very high	92.9	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.8	175.7	0	0	0	0	0	113.5	P253 G288 F291 P292 G301	P253-G299 CarbonylContact C-O 3.57Å; P253-G299 WeakPolarHBondContact CB-O 3.36Å; P253-G299 WeakPolarHBondContact CG-O 3.49Å; G288-G299 CarbonylContact O-C 3.43Å; G288-G299 VanDerWaalsContact O-C 3.25Å; F291-G299 WeakPolarHBondContact O-CA 3.34Å; P292-G299 PolarHBondContact O-N 3.39Å; G299-G301 PolarHBondContact O-N 3.33Å
300	T	94.4	Very high	93.1	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.9	173.6	56.9	0	0	0	0	114	G257 P298 M302 L320 I361	G257-T300 VanDerWaalsContact CA-O 3.29Å; G257-T300 WeakPolarHBondContact CA-O 3.43Å; P298-T300 PolarHBondContact O-N 3.16Å; P298-T300 VanDerWaalsContact O-N 3.1Å; T300-M302 PolarHBondContact O-N 2.99Å; T300-M302 PolarHBondContact OG1-N 2.79Å; T300-L320 HydrophobicContact CG2-CD1 4.28Å; T300-I361 HydrophobicContact CG2-CD1 3.75Å; T300-I361 HydrophobicContact CG2-CG2 4.29Å
301	G	94.3	Very high	93.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	26%	0.259	C	S	.	.	S	Bend	trans	73	-3.1	-171	0	0	0	0	0	115.9	N254 P298 G299	N254-G301 VanDerWaalsContact CA-CA 3.42Å; N254-G301 WeakPolarHBondContact O-CA 3.44Å; P298-G301 PolarHBondContact O-N 2.98Å; G299-G301 PolarHBondContact O-N 3.33Å
302	M	94.6	Very high	93.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.281	C	S	.	.			trans	-98.2	106.2	-178.5	-60.4	178.2	-177.1	0	0	109.5	L260 L261 Y264 Y282 E283 P298 T300 R304 T365	L260-M302 HydrophobicContact CB-CE 3.58Å; L260-M302 HydrophobicContact CD1-CE 4.26Å; L261-M302 HydrophobicContact CB-CG 4.24Å; L261-M302 HydrophobicContact CD2-CB 4.5Å; Y264-M302 HydrophobicContact CD2-CE 3.93Å; Y264-M302 HydrophobicContact CD2-SD 4.33Å; Y264-M302 HydrophobicContact CE2-CE 3.53Å; Y264-M302 HydrophobicContact CE2-SD 4.25Å; Y282-M302 HydrophobicContact CD2-SD 3.67Å; Y282-M302 HydrophobicContact CE2-SD 3.97Å; E283-M302 WeakPolarHBondContact O-CE 3.31Å; P298-M302 WeakPolarHBondContact CG-O 3.23Å; T300-M302 PolarHBondContact O-N 2.99Å; T300-M302 PolarHBondContact OG1-N 2.79Å; M302-R304 PolarHBondContact O-N 2.95Å; M302-T365 WeakPolarHBondContact O-CG2 3.19Å
303	Q	93.8	Very high	93.4	Very high	111 Å²	111	54 Å²	54	52%	0.519	29%	0.286	S	S	.	.	S	Bend	trans	-79.2	-5.2	-176.3	-64.5	174.9	-7.3	0	0	113.9	I297	I297-Q303 HydrophobicContact CG2-CG 4.2Å
304	R	95	Very high	93.7	Very high	38 Å²	38	51.2 Å²	51.2	14%	0.143	27%	0.274	C	S	.	.	S	Bend	trans	-157.4	163.1	179.9	55.8	176.4	176.1	75.5	4.8	109.6	L261 D265 M302 L308 L309	L261-R304 HydrophobicContact CD2-CG 3.92Å; D265-R304 VanDerWaalsContact CG-NH1 3.28Å; D265-R304 IonicContact OD1-CZ 3.08Å; D265-R304 IonicContact OD1-NH1 3.78Å; D265-R304 PolarHBondContact OD1-NH1 3.04Å; D265-R304 IonicContact OD1-NH2 3.68Å; D265-R304 IonicContact OD2-CZ 2.7Å; D265-R304 VanDerWaalsContact OD2-CZ 3.28Å; D265-R304 IonicContact OD2-NH1 2.62Å; D265-R304 PolarHBondContact OD2-NH1 2.82Å; D265-R304 VanDerWaalsContact OD2-NH1 3.1Å; D265-R304 IonicContact OD2-NH2 3.28Å; D265-R304 PolarHBondContact OD2-NH2 3.24Å; M302-R304 PolarHBondContact O-N 2.95Å; R304-L308 HydrophobicContact CB-CD2 3.75Å; R304-L309 VanDerWaalsContact CZ-CG 3.45Å
305	V	96.5	Very high	94	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.			trans	-63.6	147.5	167.9	-56.2	0	0	0	0	111	Y282 L308 A314 R315 G366	Y282-V305 HydrophobicContact CE1-CB 4.41Å; Y282-V305 HydrophobicContact CE1-CG1 4.25Å; V305-L308 HydrophobicContact CG2-CB 3.88Å; V305-L308 HydrophobicContact CG2-CD1 4.41Å; V305-L308 WeakPolarHBondContact O-CB 3.43Å; V305-L308 PolarHBondContact O-N 3.24Å; V305-A314 HydrophobicContact CG2-CB 3.9Å; V305-R315 HydrophobicContact CG1-CG 4.45Å; V305-R315 HydrophobicContact CG2-CG 3.93Å; V305-G366 WeakPolarHBondContact CG1-O 3.47Å
306	P	97.4	Very high	94.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	141.8	170	-26	36.4	0	0	0	112.5	L261 Y264 D265 V268 Y282 L308	L261-P306 HydrophobicContact CD1-CB 4.43Å; L261-P306 HydrophobicContact CD1-CG 4.02Å; Y264-P306 HydrophobicContact CD2-CG 3.94Å; Y264-P306 HydrophobicContact CG-CG 4.29Å; D265-P306 WeakPolarHBondContact OD1-CA 3.37Å; V268-P306 HydrophobicContact CG2-CB 3.76Å; Y282-P306 HydrophobicContact CD1-CG 4.08Å; Y282-P306 HydrophobicContact CD2-CG 4.01Å; Y282-P306 HydrophobicContact CG-CG 3.71Å; P306-L308 VanDerWaalsContact C-N 3.28Å; P306-L308 PolarHBondContact O-N 3.05Å
307	G	97.1	Very high	94.8	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.031	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-6.7	178.8	0	0	0	0	0	115.7	D265 L309 Q310 D311	D265-G307 PolarHBondContact OD1-N 3.07Å; G307-L309 PolarHBondContact O-N 2.88Å; G307-L309 VanDerWaalsContact O-N 3.15Å; G307-Q310 PolarHBondContact O-N 2.89Å; G307-Q310 PolarHBondContact O-OE1 3.42Å; G307-D311 PolarHBondContact O-N 3.22Å
308	L	96.6	Very high	95.1	Very high	36 Å²	36	46 Å²	46	19%	0.188	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.5	-179.1	-173.5	65.1	0	0	0	113.6	R304 V305 P306 Q310 A314 R315	R304-L308 HydrophobicContact CB-CD2 3.75Å; V305-L308 HydrophobicContact CG2-CB 3.88Å; V305-L308 HydrophobicContact CG2-CD1 4.41Å; V305-L308 WeakPolarHBondContact O-CB 3.43Å; V305-L308 PolarHBondContact O-N 3.24Å; P306-L308 VanDerWaalsContact C-N 3.28Å; P306-L308 PolarHBondContact O-N 3.05Å; L308-Q310 PolarHBondContact O-N 3.49Å; L308-A314 HydrophobicContact CB-CB 4.36Å; L308-A314 HydrophobicContact CD1-CB 4.36Å; L308-R315 HydrophobicContact CD1-CG 4.13Å
309	L	95.5	Very high	95.3	Very high	121 Å²	121	46.7 Å²	46.7	63%	0.634	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.9	177.2	-63.7	-177.7	0	0	0	113.1	R304 G307	R304-L309 VanDerWaalsContact CZ-CG 3.45Å; G307-L309 PolarHBondContact O-N 2.88Å; G307-L309 VanDerWaalsContact O-N 3.15Å
310	Q	95.2	Very high	95.5	Very high	112 Å²	112	47 Å²	47	52%	0.523	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-27	-177.4	-64.7	78.9	20.9	0	0	112.7	G307 L308	G307-Q310 PolarHBondContact O-N 2.89Å; G307-Q310 PolarHBondContact O-OE1 3.42Å; L308-Q310 PolarHBondContact O-N 3.49Å
311	D	95.4	Very high	95.7	Very high	55 Å²	55	47.8 Å²	47.8	29%	0.294	23%	0.228	S	C	.	.			trans	-140.5	113	-179.1	-177.6	4.6	0	0	0	110.2	G307 M313 A314	G307-D311 PolarHBondContact O-N 3.22Å; D311-M313 PolarHBondContact O-N 3.14Å; D311-M313 WeakPolarHBondContact OD1-CB 3.48Å; D311-M313 PolarHBondContact OD1-N 3.02Å; D311-A314 WeakPolarHBondContact O-CB 3.43Å; D311-A314 PolarHBondContact O-N 3.27Å
312	E	93.1	Very high	95.7	Very high	169 Å²	169	51.2 Å²	51.2	79%	0.79	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-60.8	-24.7	176.8	-65.8	-176.5	170.3	0	0	112.3	A314	E312-A314 PolarHBondContact O-N 3.04Å
313	M	93.8	Very high	95.7	Very high	95 Å²	95	52.4 Å²	52.4	47%	0.468	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-83.2	4.3	176.5	-60	-67.5	163.9	0	0	112.9	D311 R315 K316	D311-M313 PolarHBondContact O-N 3.14Å; D311-M313 WeakPolarHBondContact OD1-CB 3.48Å; D311-M313 PolarHBondContact OD1-N 3.02Å; M313-R315 PolarHBondContact O-N 3.27Å; M313-R315 VanDerWaalsContact O-N 3.15Å; M313-K316 WeakPolarHBondContact O-CB 3.17Å; M313-K316 PolarHBondContact O-N 3.36Å; M313-K316 HydrophobicContact SD-CD 4.1Å
314	A	96.1	Very high	95.6	Very high	5 Å²	5	50 Å²	50	4%	0.041	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-57.4	-29.4	178.5	0	0	0	0	0	112.8	V305 L308 D311 E312 K316 K317 S318	V305-A314 HydrophobicContact CG2-CB 3.9Å; L308-A314 HydrophobicContact CB-CB 4.36Å; L308-A314 HydrophobicContact CD1-CB 4.36Å; D311-A314 WeakPolarHBondContact O-CB 3.43Å; D311-A314 PolarHBondContact O-N 3.27Å; E312-A314 PolarHBondContact O-N 3.04Å; A314-K316 VanDerWaalsContact C-N 3.32Å; A314-K316 PolarHBondContact O-N 2.97Å; A314-K317 CarbonylContact O-C 3.48Å; A314-K317 PolarHBondContact O-N 3.45Å; A314-S318 VanDerWaalsContact O-CB 3.31Å; A314-S318 WeakPolarHBondContact O-CB 3.34Å; A314-S318 PolarHBondContact O-N 2.93Å; A314-S318 PolarHBondContact O-OG 3.07Å
315	R	94.6	Very high	95.3	Very high	106 Å²	106	55 Å²	55	40%	0.4	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-62.1	-37	176.2	-70.1	-179.8	175.7	174.1	2.1	112.7	V305 L308 M313 K317 T365	V305-R315 HydrophobicContact CG1-CG 4.45Å; V305-R315 HydrophobicContact CG2-CG 3.93Å; L308-R315 HydrophobicContact CD1-CG 4.13Å; M313-R315 PolarHBondContact O-N 3.27Å; M313-R315 VanDerWaalsContact O-N 3.15Å; R315-K317 PolarHBondContact O-N 3.4Å; R315-T365 PolarHBondContact NE-O 3.33Å
316	K	95.4	Very high	94.9	Very high	78 Å²	78	55.7 Å²	55.7	34%	0.339	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-71	-7	174.4	-62	-171.4	-179.8	-174	0	113.9	I48 D50 M313 A314	I48-K316 PolarHBondContact N-O 3.12Å; D50-K316 WeakPolarHBondContact OD1-CG 3.34Å; D50-K316 WeakPolarHBondContact OD2-CE 3.26Å; D50-K316 IonicContact OD2-NZ 3.4Å; M313-K316 WeakPolarHBondContact O-CB 3.17Å; M313-K316 PolarHBondContact O-N 3.36Å; M313-K316 HydrophobicContact SD-CD 4.1Å; A314-K316 VanDerWaalsContact C-N 3.32Å; A314-K316 PolarHBondContact O-N 2.97Å
317	K	96.2	Very high	94	Very high	30 Å²	30	63.9 Å²	63.9	13%	0.13	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-133	13.9	-168.6	-57.2	-179.5	179.4	-177.4	0	113.2	R272 K276 D277 L279 I280 A314 R315	R272-K317 PolarHBondContact NH2-O 3.24Å; K276-K317 WeakPolarHBondContact O-CD 3.44Å; K276-K317 WeakPolarHBondContact O-CE 3.29Å; K276-K317 PolarHBondContact O-NZ 3.17Å; D277-K317 IonicContact OD1-NZ 3.65Å; D277-K317 PolarHBondContact OD1-NZ 2.63Å; D277-K317 VanDerWaalsContact OD1-NZ 3.08Å; L279-K317 CarbonylContact C-O 3.57Å; L279-K317 WeakPolarHBondContact CA-O 3.29Å; I280-K317 PolarHBondContact N-O 3.31Å; A314-K317 CarbonylContact O-C 3.48Å; A314-K317 PolarHBondContact O-N 3.45Å; R315-K317 PolarHBondContact O-N 3.4Å
318	S	97.1	Very high	93.2	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.3	-178.9	-56.4	0	0	0	0	109.3	I280 A314 G367	I280-S318 CarbonylContact O-C 3.59Å; I280-S318 WeakPolarHBondContact O-CA 3.11Å; A314-S318 VanDerWaalsContact O-CB 3.31Å; A314-S318 WeakPolarHBondContact O-CB 3.34Å; A314-S318 PolarHBondContact O-N 2.93Å; A314-S318 PolarHBondContact O-OG 3.07Å; S318-G367 CarbonylContact O-C 3.39Å; S318-G367 WeakPolarHBondContact O-CA 3.43Å
319	V	97.7	Very high	92.2	Very high	14 Å²	14	66.7 Å²	66.7	9%	0.085	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120.9	-177.5	-177.5	0	0	0	0	107.4	I48 F55 L279 I280 F281 Y282 S321	I48-V319 HydrophobicContact CD1-CG2 3.95Å; I48-V319 HydrophobicContact CG1-CG2 4.27Å; F55-V319 HydrophobicContact CE1-CG1 4.28Å; F55-V319 HydrophobicContact CE1-CG2 3.7Å; F55-V319 HydrophobicContact CZ-CG1 3.8Å; F55-V319 HydrophobicContact CZ-CG2 4.08Å; L279-V319 HydrophobicContact CB-CG2 4.23Å; L279-V319 HydrophobicContact CD1-CG2 4Å; I280-V319 PolarHBondContact O-N 3.17Å; F281-V319 WeakPolarHBondContact CA-O 3.39Å; F281-V319 HydrophobicContact CD1-CB 3.98Å; F281-V319 HydrophobicContact CD1-CG1 3.83Å; F281-V319 HydrophobicContact CD2-CB 4.33Å; F281-V319 HydrophobicContact CD2-CG2 4.36Å; F281-V319 HydrophobicContact CE1-CB 4.05Å; F281-V319 HydrophobicContact CE1-CG1 3.66Å; F281-V319 HydrophobicContact CE1-CG2 4.31Å; F281-V319 HydrophobicContact CE2-CB 4.38Å; F281-V319 HydrophobicContact CE2-CG2 4.04Å; F281-V319 HydrophobicContact CG-CB 4.12Å; F281-V319 HydrophobicContact CG-CG1 4.47Å; F281-V319 HydrophobicContact CZ-CB 4.25Å; F281-V319 HydrophobicContact CZ-CG1 4.17Å; F281-V319 HydrophobicContact CZ-CG2 4.02Å; Y282-V319 WeakPolarHBondContact CD1-O 3.42Å; Y282-V319 VanDerWaalsContact CE1-O 3.32Å; Y282-V319 WeakPolarHBondContact CE1-O 3.18Å; Y282-V319 PolarHBondContact N-O 2.91Å; V319-S321 PolarHBondContact O-N 3.21Å
320	L	96.5	Very high	91	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.052	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	103.6	167.5	178.7	61.4	0	0	0	108.8	Y282 T300 Y322 V358 I361 V362 G367	Y282-L320 HydrophobicContact CD2-CD1 4.29Å; Y282-L320 HydrophobicContact CE2-CB 4.38Å; Y282-L320 HydrophobicContact CE2-CD1 3.77Å; T300-L320 HydrophobicContact CG2-CD1 4.28Å; L320-Y322 HydrophobicContact CG-CD1 4.48Å; L320-V358 HydrophobicContact CD2-CG1 4.3Å; L320-I361 HydrophobicContact CD2-CB 4.25Å; L320-I361 HydrophobicContact CD2-CG2 3.77Å; L320-V362 HydrophobicContact CB-CG2 4.19Å; L320-V362 HydrophobicContact CD2-CG2 4.11Å; L320-G367 PolarHBondContact N-O 2.86Å
321	S	96.9	Very high	89.7	Confident	17 Å²	17	66.4 Å²	66.4	12%	0.119	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.5	173.4	-174.6	0	0	0	0	109	Y282 E283 V319	Y282-S321 PolarHBondContact O-N 2.93Å; E283-S321 WeakPolarHBondContact CA-O 3.33Å; E283-S321 PolarHBondContact OE1-OG 3.43Å; E283-S321 VanDerWaalsContact OE1-OG 3.1Å; V319-S321 PolarHBondContact O-N 3.21Å
322	Y	95.3	Very high	88.5	Confident	73 Å²	73	65 Å²	65	29%	0.286	30%	0.303	S	S	.	.			trans	-149.8	148	-179.8	64.5	-85.1	0	0	0	111.3	I289 L320 V358	I289-Y322 HydrophobicContact CD1-CD2 3.7Å; I289-Y322 HydrophobicContact CD1-CG 4.37Å; I289-Y322 HydrophobicContact CG2-CD2 4.39Å; I289-Y322 HydrophobicContact CG2-CG 4.1Å; L320-Y322 HydrophobicContact CG-CD1 4.48Å; Y322-V358 HydrophobicContact CD1-CG1 4.02Å; Y322-V358 HydrophobicContact CD1-CG2 4.02Å; Y322-V358 HydrophobicContact CD2-CG2 4.13Å; Y322-V358 HydrophobicContact CE1-CB 4.27Å; Y322-V358 HydrophobicContact CE1-CG1 3.42Å; Y322-V358 VanDerWaalsContact CE1-CG1 3.42Å; Y322-V358 HydrophobicContact CE1-CG2 3.95Å; Y322-V358 HydrophobicContact CE2-CG2 4.03Å; Y322-V358 HydrophobicContact CG-CG2 4.11Å
323	H	94.2	Very high	87.6	Confident	26 Å²	26	60.1 Å²	60.1	12%	0.12	29%	0.287	C	S	.	.			trans	-95.6	134.7	172.2	-66.3	-178.6	0	0	0	110.2	N237 E238 E283 T286 I289 Y325	N237-H323 PolarHBondContact OD1-CE1 3.01Å; E238-H323 WeakPolarHBondContact CG-ND1 3.4Å; E238-H323 IonicContact OE1-CE1 2.75Å; E238-H323 IonicContact OE1-CG 2.72Å; E238-H323 IonicContact OE1-ND1 3.03Å; E238-H323 PolarHBondContact OE1-ND1 2.93Å; E283-H323 IonicContact OE1-CD2 2.68Å; E283-H323 PolarHBondContact OE1-CD2 3.14Å; E283-H323 IonicContact OE1-NE2 3.77Å; E283-H323 PolarHBondContact OE1-NE2 2.91Å; T286-H323 HydrophobicContact CG2-CB 4.39Å; I289-H323 WeakPolarHBondContact CD1-O 3.39Å; H323-Y325 HydrophobicContact CB-CD2 3.91Å; H323-Y325 HydrophobicContact CB-CE2 3.59Å; H323-Y325 AromaticContact CG-CE2 3.9Å; H323-Y325 AromaticContact ND1-CE2 3.63Å
324	Y	92	Very high	86.6	Confident	62 Å²	62	61.1 Å²	61.1	24%	0.243	31%	0.31	C	S	.	.			trans	-107.3	108.7	164.9	177.8	-96	0	0	0	109.4	F290 C346 L351 A354	F290-Y324 HydrophobicContact CE1-CD2 4.18Å; F290-Y324 AromaticContact CE1-CE2 3.91Å; F290-Y324 HydrophobicContact CE1-CE2 3.91Å; F290-Y324 AromaticContact CZ-CD2 3.93Å; F290-Y324 HydrophobicContact CZ-CD2 3.93Å; F290-Y324 AromaticContact CZ-CE2 3.98Å; F290-Y324 HydrophobicContact CZ-CE2 3.98Å; Y324-C346 PolarHBondContact OH-O 3.32Å; Y324-L351 HydrophobicContact CD1-CD1 3.6Å; Y324-L351 HydrophobicContact CD2-CD1 4.09Å; Y324-L351 HydrophobicContact CE1-CB 4.29Å; Y324-L351 HydrophobicContact CE1-CD1 3.4Å; Y324-L351 VanDerWaalsContact CE1-CD1 3.4Å; Y324-L351 HydrophobicContact CE1-CG 4.43Å; Y324-L351 VanDerWaalsContact CE2-CA 3.49Å; Y324-L351 HydrophobicContact CE2-CB 4.12Å; Y324-L351 HydrophobicContact CE2-CD1 3.91Å; Y324-L351 HydrophobicContact CG-CD1 3.94Å; Y324-L351 WeakPolarHBondContact OH-CA 3.34Å; Y324-L351 WeakPolarHBondContact OH-CB 3.19Å; Y324-L351 PolarHBondContact OH-N 2.76Å; Y324-L351 VanDerWaalsContact OH-N 3.16Å; Y324-A354 HydrophobicContact CD2-CB 4.05Å; Y324-A354 HydrophobicContact CE2-CB 4.3Å
325	Y	88.2	Confident	85.7	Confident	141 Å²	141	67.3 Å²	67.3	55%	0.553	35%	0.347	S	S	*	.			trans	-118.6	131.3	168	-64.3	-65	0	0	0	109.4	E238 H323 W327	E238-Y325 WeakPolarHBondContact OE1-CE2 3.34Å; H323-Y325 HydrophobicContact CB-CD2 3.91Å; H323-Y325 HydrophobicContact CB-CE2 3.59Å; H323-Y325 AromaticContact CG-CE2 3.9Å; H323-Y325 AromaticContact ND1-CE2 3.63Å; Y325-W327 VanDerWaalsContact C-N 3.33Å; Y325-W327 PolarHBondContact O-N 2.73Å; Y325-W327 VanDerWaalsContact O-N 3.08Å
326	C	87.6	Confident	84.8	Confident	16 Å²	16	67.7 Å²	67.7	11%	0.108	35%	0.353	C	S	.	.			trans	-80	89	164.1	-165.6	0	0	0	0	109.1	L328 L329 C346	C326-L328 PolarHBondContact O-N 3.1Å; C326-L329 HydrophobicContact CB-CD1 3.95Å; C326-L329 HydrophobicContact CB-CG 4.08Å; C326-L329 WeakPolarHBondContact O-CA 3.47Å; C326-L329 VanDerWaalsContact O-CB 3.28Å; C326-L329 WeakPolarHBondContact O-CB 3.41Å; C326-L329 PolarHBondContact O-N 3.25Å; C326-C346 HydrophobicContact CB-CB 3.69Å; C326-C346 WeakPolarHBondContact CB-SG 3.01Å; C326-C346 VanDerWaalsContact SG-CA 3.54Å; C326-C346 WeakPolarHBondContact SG-CB 3.43Å; C326-C346 CovalentContact SG-SG 2.02Å; C326-C346 PolarHBondContact SG-SG 3.45Å
327	W	79.6	Confident	84.1	Confident	171 Å²	171	72.5 Å²	72.5	65%	0.648	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-47	-26	174.1	59.5	-43.4	0	0	0	115.5	Y325 L329 E330	Y325-W327 VanDerWaalsContact C-N 3.33Å; Y325-W327 PolarHBondContact O-N 2.73Å; Y325-W327 VanDerWaalsContact O-N 3.08Å; W327-L329 PolarHBondContact O-N 2.98Å; W327-L329 VanDerWaalsContact O-N 3.1Å; W327-E330 PolarHBondContact O-N 3.26Å
328	L	79.3	Confident	83.4	Confident	53 Å²	53	74.5 Å²	74.5	28%	0.277	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-60.9	-17.9	171.1	-62.4	177.1	0	0	0	114	C326 T332 K342 L345 L350	C326-L328 PolarHBondContact O-N 3.1Å; L328-T332 PolarHBondContact O-OG1 3.22Å; L328-K342 PolarHBondContact O-NZ 3Å; L328-L345 HydrophobicContact CD1-CB 3.72Å; L328-L345 HydrophobicContact CD1-CD1 3.7Å; L328-L345 HydrophobicContact CD1-CG 4.39Å; L328-L350 HydrophobicContact CD1-CD1 4.07Å; L328-L350 HydrophobicContact CG-CD1 4.41Å
329	L	77	Confident	82.9	Confident	45 Å²	45	76.4 Å²	76.4	24%	0.236	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-105.8	-11.7	-177.4	-53.5	-179.1	0	0	0	113.1	C326 W327 S331 T332 M338 K342	C326-L329 HydrophobicContact CB-CD1 3.95Å; C326-L329 HydrophobicContact CB-CG 4.08Å; C326-L329 WeakPolarHBondContact O-CA 3.47Å; C326-L329 VanDerWaalsContact O-CB 3.28Å; C326-L329 WeakPolarHBondContact O-CB 3.41Å; C326-L329 PolarHBondContact O-N 3.25Å; W327-L329 PolarHBondContact O-N 2.98Å; W327-L329 VanDerWaalsContact O-N 3.1Å; L329-S331 PolarHBondContact O-N 3.26Å; L329-T332 WeakPolarHBondContact O-CB 3.41Å; L329-T332 PolarHBondContact O-N 2.82Å; L329-M338 HydrophobicContact CD1-CE 3.33Å; L329-M338 HydrophobicContact CD1-SD 4.07Å; L329-M338 HydrophobicContact CD2-CE 3.58Å; L329-M338 HydrophobicContact CD2-CG 3.85Å; L329-M338 HydrophobicContact CD2-SD 3.67Å; L329-M338 HydrophobicContact CG-CE 4.08Å; L329-K342 HydrophobicContact CD2-CB 4.33Å; L329-K342 HydrophobicContact CD2-CD 4.22Å
330	E	70.5	Confident	82.5	Confident	120 Å²	120	79.6 Å²	79.6	56%	0.561	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.1	-173.4	-174.3	171.8	-167.7	0	0	112.2	W327	W327-E330 PolarHBondContact O-N 3.26Å
331	S	67.5	Low	82.2	Confident	108 Å²	108	86.4 Å²	86.4	76%	0.755	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	4.5	176.5	73.9	0	0	0	0	114.1	L329 P333	L329-S331 PolarHBondContact O-N 3.26Å; S331-P333 WeakPolarHBondContact O-CD 3.41Å
332	T	70.7	Confident	81.8	Confident	25 Å²	25	87.4 Å²	87.4	15%	0.153	45%	0.45	C	S	.	.	S	Bend	trans	-87.4	118.7	-178.9	-55.5	0	0	0	0	108.6	L328 L329 A334 E336 K342	L328-T332 PolarHBondContact O-OG1 3.22Å; L329-T332 WeakPolarHBondContact O-CB 3.41Å; L329-T332 PolarHBondContact O-N 2.82Å; T332-A334 PolarHBondContact O-N 2.89Å; T332-E336 HydrophobicContact CG2-CB 4.26Å; T332-K342 PolarHBondContact OG1-NZ 2.76Å; T332-K342 VanDerWaalsContact OG1-NZ 3.11Å
333	P	73	Confident	81.5	Confident	67 Å²	67	89.7 Å²	89.7	44%	0.435	46%	0.458	S	S	.	.			trans	-55.4	138	176.7	-23.3	33.2	0	0	0	111.1	S331 T335 E336	S331-P333 WeakPolarHBondContact O-CD 3.41Å; P333-T335 PolarHBondContact O-N 3.14Å; P333-E336 HydrophobicContact CB-CB 4.45Å; P333-E336 WeakPolarHBondContact CD-OE2 3.33Å; P333-E336 WeakPolarHBondContact O-CB 3.37Å; P333-E336 PolarHBondContact O-N 3.26Å
334	A	73.7	Confident	81.4	Confident	115 Å²	115	94.7 Å²	94.7	95%	0.95	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.5	179.4	0	0	0	0	0	113.6	T332	T332-A334 PolarHBondContact O-N 2.89Å
335	T	77.3	Confident	81.4	Confident	135 Å²	135	94.5 Å²	94.5	83%	0.828	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.2	177.2	54.3	0	0	0	0	113.7	P333	P333-T335 PolarHBondContact O-N 3.14Å
336	E	76.1	Confident	81.6	Confident	114 Å²	114	87.9 Å²	87.9	53%	0.533	45%	0.454	S	S	.	.	S	Bend	trans	-87.2	134.4	-176.5	-164.8	177	168.9	0	0	110.8	T332 P333 M338	T332-E336 HydrophobicContact CG2-CB 4.26Å; P333-E336 HydrophobicContact CB-CB 4.45Å; P333-E336 WeakPolarHBondContact CD-OE2 3.33Å; P333-E336 WeakPolarHBondContact O-CB 3.37Å; P333-E336 PolarHBondContact O-N 3.26Å; E336-M338 PolarHBondContact O-N 3.03Å; E336-M338 VanDerWaalsContact O-N 3.14Å
337	H	80.4	Confident	81.7	Confident	180 Å²	180	90.8 Å²	90.8	83%	0.833	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-64.8	116	171.2	-81.6	-67.8	0	0	0	109.8	P339	H337-P339 VanDerWaalsContact O-CD 3.26Å; H337-P339 WeakPolarHBondContact O-CD 3.2Å
338	M	81.2	Confident	82.3	Confident	71 Å²	71	87.8 Å²	87.8	35%	0.35	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-57.9	119.2	177.4	-172.4	-174.4	-53.8	0	0	110.6	L329 E336 S340 K342 R343	L329-M338 HydrophobicContact CD1-CE 3.33Å; L329-M338 HydrophobicContact CD1-SD 4.07Å; L329-M338 HydrophobicContact CD2-CE 3.58Å; L329-M338 HydrophobicContact CD2-CG 3.85Å; L329-M338 HydrophobicContact CD2-SD 3.67Å; L329-M338 HydrophobicContact CG-CE 4.08Å; E336-M338 PolarHBondContact O-N 3.03Å; E336-M338 VanDerWaalsContact O-N 3.14Å; M338-S340 PolarHBondContact O-N 2.76Å; M338-K342 HydrophobicContact CG-CB 4.01Å; M338-R343 HydrophobicContact CG-CB 4.3Å; M338-R343 VanDerWaalsContact SD-CA 3.52Å; M338-R343 HydrophobicContact SD-CB 3.57Å; M338-R343 VanDerWaalsContact SD-CB 3.57Å; M338-R343 HydrophobicContact SD-CG 4.26Å
339	P	85.7	Confident	82.9	Confident	42 Å²	42	89.2 Å²	89.2	27%	0.273	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-54.9	136.7	174.8	-26.5	34.9	0	0	0	111	H337 W341 K342 R343	H337-P339 VanDerWaalsContact O-CD 3.26Å; H337-P339 WeakPolarHBondContact O-CD 3.2Å; P339-W341 HydrophobicContact CB-CG 4.44Å; P339-W341 PolarHBondContact O-N 3.15Å; P339-K342 HydrophobicContact CB-CG 4.49Å; P339-K342 WeakPolarHBondContact O-CB 3.21Å; P339-K342 PolarHBondContact O-N 2.87Å; P339-R343 PolarHBondContact O-N 3.21Å
340	S	88.9	Confident	83.6	Confident	80 Å²	80	88.8 Å²	88.8	56%	0.559	47%	0.467	S	S	*	.	H	α-helix	trans	-54.5	-32.5	-174.6	-65	0	0	0	0	114	M338 R343 Y344	M338-S340 PolarHBondContact O-N 2.76Å; S340-R343 PolarHBondContact OG-NH2 2.85Å; S340-R343 VanDerWaalsContact OG-NH2 3.15Å; S340-Y344 PolarHBondContact O-N 3.06Å
341	W	90.5	Very high	84.6	Confident	153 Å²	153	85.5 Å²	85.5	58%	0.58	45%	0.453	S	S	*	.	H	α-helix	trans	-69.3	-37.3	177.1	70.5	-95.2	0	0	0	112.7	P339 Y344 L345	P339-W341 HydrophobicContact CB-CG 4.44Å; P339-W341 PolarHBondContact O-N 3.15Å; W341-Y344 PolarHBondContact O-N 3.12Å; W341-L345 HydrophobicContact CE3-CD1 3.49Å; W341-L345 VanDerWaalsContact CE3-CD1 3.49Å; W341-L345 HydrophobicContact CE3-CG 4.4Å; W341-L345 HydrophobicContact CZ3-CD1 3.52Å; W341-L345 WeakPolarHBondContact O-CG 3.3Å; W341-L345 PolarHBondContact O-N 3.2Å
342	K	89.5	Confident	85.9	Confident	39 Å²	39	84.8 Å²	84.8	17%	0.17	44%	0.44	C	S	.	.	H	α-helix	trans	-64.4	-46.2	174.9	-73.5	-163.8	-178.8	-171.6	0	110.5	L328 L329 T332 M338 P339 Y344 L345 C346	L328-K342 PolarHBondContact O-NZ 3Å; L329-K342 HydrophobicContact CD2-CB 4.33Å; L329-K342 HydrophobicContact CD2-CD 4.22Å; T332-K342 PolarHBondContact OG1-NZ 2.76Å; T332-K342 VanDerWaalsContact OG1-NZ 3.11Å; M338-K342 HydrophobicContact CG-CB 4.01Å; P339-K342 HydrophobicContact CB-CG 4.49Å; P339-K342 WeakPolarHBondContact O-CB 3.21Å; P339-K342 PolarHBondContact O-N 2.87Å; K342-Y344 VanDerWaalsContact C-N 3.34Å; K342-Y344 PolarHBondContact O-N 3.39Å; K342-L345 PolarHBondContact O-N 3.38Å; K342-C346 PolarHBondContact O-N 3.02Å; K342-C346 PolarHBondContact O-SG 3.5Å
343	R	88.3	Confident	86.9	Confident	120 Å²	120	88 Å²	88	45%	0.453	45%	0.45	S	S	.	.	H	α-helix	trans	-56.4	-47.7	175.2	-179.3	172.1	40.1	-177.8	-9.8	111.6	M338 P339 S340 L345 C346 D347	M338-R343 HydrophobicContact CG-CB 4.3Å; M338-R343 VanDerWaalsContact SD-CA 3.52Å; M338-R343 HydrophobicContact SD-CB 3.57Å; M338-R343 VanDerWaalsContact SD-CB 3.57Å; M338-R343 HydrophobicContact SD-CG 4.26Å; P339-R343 PolarHBondContact O-N 3.21Å; S340-R343 PolarHBondContact OG-NH2 2.85Å; S340-R343 VanDerWaalsContact OG-NH2 3.15Å; R343-L345 PolarHBondContact O-N 3Å; R343-C346 PolarHBondContact O-N 3.36Å; R343-D347 VanDerWaalsContact CG-OD2 3.27Å; R343-D347 WeakPolarHBondContact CG-OD2 3.44Å; R343-D347 WeakPolarHBondContact O-CB 3.49Å; R343-D347 PolarHBondContact O-N 2.92Å
344	Y	92.4	Very high	87.9	Confident	131 Å²	131	84.8 Å²	84.8	51%	0.514	43%	0.43	S	S	.	.	H	α-helix	trans	-60.4	-45.6	177.3	-177.5	-88.6	0	0	0	112.2	S340 W341 K342 C346 H348 L349	S340-Y344 PolarHBondContact O-N 3.06Å; W341-Y344 PolarHBondContact O-N 3.12Å; K342-Y344 VanDerWaalsContact C-N 3.34Å; K342-Y344 PolarHBondContact O-N 3.39Å; Y344-C346 PolarHBondContact O-N 3.34Å; Y344-H348 HydrophobicContact CD2-CB 4.18Å; Y344-H348 AromaticContact CD2-CD2 3.45Å; Y344-H348 VanDerWaalsContact CD2-CD2 3.45Å; Y344-H348 WeakPolarHBondContact CD2-CD2 3.39Å; Y344-H348 HydrophobicContact CE2-CB 4.01Å; Y344-H348 AromaticContact CE2-CD2 3.82Å; Y344-H348 WeakPolarHBondContact O-CB 3.39Å; Y344-H348 PolarHBondContact O-N 2.76Å; Y344-L349 HydrophobicContact CD1-CD1 4.19Å; Y344-L349 HydrophobicContact CD1-CG 4.48Å; Y344-L349 HydrophobicContact CE1-CD1 3.87Å; Y344-L349 HydrophobicContact CE1-CG 4.03Å
345	L	91.9	Very high	88.8	Confident	58 Å²	58	84.2 Å²	84.2	30%	0.304	41%	0.406	S	S	.	.	I	π-helix	trans	-60.1	-44.5	176.3	-73.6	175.1	0	0	0	111.9	L328 W341 K342 R343 L349 L350	L328-L345 HydrophobicContact CD1-CB 3.72Å; L328-L345 HydrophobicContact CD1-CD1 3.7Å; L328-L345 HydrophobicContact CD1-CG 4.39Å; W341-L345 HydrophobicContact CE3-CD1 3.49Å; W341-L345 VanDerWaalsContact CE3-CD1 3.49Å; W341-L345 HydrophobicContact CE3-CG 4.4Å; W341-L345 HydrophobicContact CZ3-CD1 3.52Å; W341-L345 WeakPolarHBondContact O-CG 3.3Å; W341-L345 PolarHBondContact O-N 3.2Å; K342-L345 PolarHBondContact O-N 3.38Å; R343-L345 PolarHBondContact O-N 3Å; L345-L349 HydrophobicContact CD2-CD1 3.48Å; L345-L349 VanDerWaalsContact CD2-CD1 3.48Å; L345-L349 WeakPolarHBondContact O-CB 3.45Å; L345-L349 PolarHBondContact O-N 2.85Å; L345-L350 WeakPolarHBondContact O-CG 3.45Å; L345-L350 PolarHBondContact O-N 3.31Å
346	C	91.4	Very high	89.6	Confident	2 Å²	2	85.2 Å²	85.2	1%	0.014	40%	0.399	C	S	.	.	I	π-helix	trans	-66	-57.6	178.4	-63.8	0	0	0	0	111.6	Y324 C326 K342 R343 Y344 L351	Y324-C346 PolarHBondContact OH-O 3.32Å; C326-C346 HydrophobicContact CB-CB 3.69Å; C326-C346 WeakPolarHBondContact CB-SG 3.01Å; C326-C346 VanDerWaalsContact SG-CA 3.54Å; C326-C346 WeakPolarHBondContact SG-CB 3.43Å; C326-C346 CovalentContact SG-SG 2.02Å; C326-C346 PolarHBondContact SG-SG 3.45Å; K342-C346 PolarHBondContact O-N 3.02Å; K342-C346 PolarHBondContact O-SG 3.5Å; R343-C346 PolarHBondContact O-N 3.36Å; Y344-C346 PolarHBondContact O-N 3.34Å; C346-L351 VanDerWaalsContact O-CB 3.24Å; C346-L351 WeakPolarHBondContact O-CB 3.38Å; C346-L351 PolarHBondContact O-N 3.08Å
347	D	90.3	Very high	90.4	Very high	78 Å²	78	80.5 Å²	80.5	42%	0.417	38%	0.377	S	S	.	.	I	π-helix	trans	-78.9	-35.4	-166.5	-62.9	-12.4	0	0	0	112.6	R343	R343-D347 VanDerWaalsContact CG-OD2 3.27Å; R343-D347 WeakPolarHBondContact CG-OD2 3.44Å; R343-D347 WeakPolarHBondContact O-CB 3.49Å; R343-D347 PolarHBondContact O-N 2.92Å
348	H	92	Very high	91	Very high	107 Å²	107	72.5 Å²	72.5	50%	0.495	34%	0.341	S	S	.	.	I	π-helix	trans	-104.9	-22.3	-172	-64	-59	0	0	0	114.3	Y344 N352	Y344-H348 HydrophobicContact CD2-CB 4.18Å; Y344-H348 AromaticContact CD2-CD2 3.45Å; Y344-H348 VanDerWaalsContact CD2-CD2 3.45Å; Y344-H348 WeakPolarHBondContact CD2-CD2 3.39Å; Y344-H348 HydrophobicContact CE2-CB 4.01Å; Y344-H348 AromaticContact CE2-CD2 3.82Å; Y344-H348 WeakPolarHBondContact O-CB 3.39Å; Y344-H348 PolarHBondContact O-N 2.76Å; H348-N352 PolarHBondContact O-ND2 3.22Å
349	L	92.2	Very high	91.6	Very high	83 Å²	83	77.4 Å²	77.4	44%	0.435	36%	0.356	S	S	.	.	I	π-helix	trans	-109.3	-65.8	-179.2	-64.3	173.6	0	0	0	111.8	Y344 L345 Y353	Y344-L349 HydrophobicContact CD1-CD1 4.19Å; Y344-L349 HydrophobicContact CD1-CG 4.48Å; Y344-L349 HydrophobicContact CE1-CD1 3.87Å; Y344-L349 HydrophobicContact CE1-CG 4.03Å; L345-L349 HydrophobicContact CD2-CD1 3.48Å; L345-L349 VanDerWaalsContact CD2-CD1 3.48Å; L345-L349 WeakPolarHBondContact O-CB 3.45Å; L345-L349 PolarHBondContact O-N 2.85Å; L349-Y353 WeakPolarHBondContact O-CB 3.33Å; L349-Y353 PolarHBondContact O-N 3.19Å
350	L	91.9	Very high	92	Very high	37 Å²	37	77.8 Å²	77.8	19%	0.194	36%	0.359	C	S	.	.	I	π-helix	trans	-64.8	-45.2	-173.8	-68.1	175.8	0	0	0	112.2	F290 L328 L345 Y353 A354	F290-L350 HydrophobicContact CE1-CB 4.33Å; L328-L350 HydrophobicContact CD1-CD1 4.07Å; L328-L350 HydrophobicContact CG-CD1 4.41Å; L345-L350 WeakPolarHBondContact O-CG 3.45Å; L345-L350 PolarHBondContact O-N 3.31Å; L350-Y353 PolarHBondContact O-N 2.87Å; L350-A354 WeakPolarHBondContact O-CB 3.49Å; L350-A354 PolarHBondContact O-N 2.69Å
351	L	92.5	Very high	92.1	Very high	51 Å²	51	74 Å²	74	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-55.5	177.4	-174.7	71.7	0	0	0	111.1	Y324 C346 Y353 A354 F355	Y324-L351 HydrophobicContact CD1-CD1 3.6Å; Y324-L351 HydrophobicContact CD2-CD1 4.09Å; Y324-L351 HydrophobicContact CE1-CB 4.29Å; Y324-L351 HydrophobicContact CE1-CD1 3.4Å; Y324-L351 VanDerWaalsContact CE1-CD1 3.4Å; Y324-L351 HydrophobicContact CE1-CG 4.43Å; Y324-L351 VanDerWaalsContact CE2-CA 3.49Å; Y324-L351 HydrophobicContact CE2-CB 4.12Å; Y324-L351 HydrophobicContact CE2-CD1 3.91Å; Y324-L351 HydrophobicContact CG-CD1 3.94Å; Y324-L351 WeakPolarHBondContact OH-CA 3.34Å; Y324-L351 WeakPolarHBondContact OH-CB 3.19Å; Y324-L351 PolarHBondContact OH-N 2.76Å; Y324-L351 VanDerWaalsContact OH-N 3.16Å; C346-L351 VanDerWaalsContact O-CB 3.24Å; C346-L351 WeakPolarHBondContact O-CB 3.38Å; C346-L351 PolarHBondContact O-N 3.08Å; L351-Y353 VanDerWaalsContact C-N 3.27Å; L351-Y353 PolarHBondContact O-N 2.71Å; L351-A354 PolarHBondContact O-N 3.14Å; L351-F355 HydrophobicContact CD1-CD2 3.73Å; L351-F355 HydrophobicContact CD1-CE2 3.3Å; L351-F355 HydrophobicContact CD1-CZ 4.21Å; L351-F355 HydrophobicContact CG-CD2 4.07Å; L351-F355 HydrophobicContact CG-CE2 4.07Å; L351-F355 VanDerWaalsContact O-CD2 3.23Å; L351-F355 WeakPolarHBondContact O-CD2 3.4Å; L351-F355 PolarHBondContact O-N 3.06Å
352	N	93.2	Very high	92.2	Very high	92 Å²	92	68.4 Å²	68.4	49%	0.492	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-39	-179.1	-75	-31	0	0	0	112.2	H348 K356	H348-N352 PolarHBondContact O-ND2 3.22Å; N352-K356 VanDerWaalsContact O-CB 3.27Å; N352-K356 WeakPolarHBondContact O-CB 3.43Å; N352-K356 PolarHBondContact O-N 2.86Å
353	Y	92.8	Very high	92.2	Very high	93 Å²	93	73.2 Å²	73.2	37%	0.365	34%	0.338	S	S	.	.	H	α-helix	trans	-65.9	-48.8	177.9	-173.5	-99.8	0	0	0	111.8	F290 P292 L349 L350 L351 F355 K356 N357	F290-Y353 VanDerWaalsContact O-CE1 3.28Å; F290-Y353 WeakPolarHBondContact O-CE1 3.21Å; P292-Y353 WeakPolarHBondContact CB-OH 3.37Å; P292-Y353 WeakPolarHBondContact CD-OH 3.29Å; L349-Y353 WeakPolarHBondContact O-CB 3.33Å; L349-Y353 PolarHBondContact O-N 3.19Å; L350-Y353 PolarHBondContact O-N 2.87Å; L351-Y353 VanDerWaalsContact C-N 3.27Å; L351-Y353 PolarHBondContact O-N 2.71Å; Y353-F355 PolarHBondContact O-N 3Å; Y353-K356 PolarHBondContact O-N 3.43Å; Y353-N357 WeakPolarHBondContact CD1-ND2 3.47Å; Y353-N357 WeakPolarHBondContact CE1-ND2 3.49Å; Y353-N357 WeakPolarHBondContact O-CB 3.23Å; Y353-N357 PolarHBondContact O-N 3.47Å
354	A	93.2	Very high	92.4	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-47.6	177	0	0	0	0	0	111.7	I289 F290 Y324 L350 L351 K356 N357 V358	I289-A354 HydrophobicContact CD1-CB 4.18Å; I289-A354 HydrophobicContact CG1-CB 4.44Å; F290-A354 HydrophobicContact CD1-CB 4.04Å; F290-A354 HydrophobicContact CE1-CB 3.8Å; F290-A354 HydrophobicContact CZ-CB 4.45Å; Y324-A354 HydrophobicContact CD2-CB 4.05Å; Y324-A354 HydrophobicContact CE2-CB 4.3Å; L350-A354 WeakPolarHBondContact O-CB 3.49Å; L350-A354 PolarHBondContact O-N 2.69Å; L351-A354 PolarHBondContact O-N 3.14Å; A354-K356 PolarHBondContact O-N 2.92Å; A354-N357 PolarHBondContact O-N 3.04Å; A354-V358 WeakPolarHBondContact O-CG2 3.31Å; A354-V358 PolarHBondContact O-N 3.4Å
355	F	93.3	Very high	92.2	Very high	103 Å²	103	64.5 Å²	64.5	45%	0.452	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-40	179.1	-86.4	-110.5	0	0	0	112.5	L351 Y353 R359	L351-F355 HydrophobicContact CD1-CD2 3.73Å; L351-F355 HydrophobicContact CD1-CE2 3.3Å; L351-F355 HydrophobicContact CD1-CZ 4.21Å; L351-F355 HydrophobicContact CG-CD2 4.07Å; L351-F355 HydrophobicContact CG-CE2 4.07Å; L351-F355 VanDerWaalsContact O-CD2 3.23Å; L351-F355 WeakPolarHBondContact O-CD2 3.4Å; L351-F355 PolarHBondContact O-N 3.06Å; Y353-F355 PolarHBondContact O-N 3Å; F355-R359 WeakPolarHBondContact O-CB 3.29Å; F355-R359 PolarHBondContact O-N 2.86Å
356	K	93.7	Very high	92	Very high	155 Å²	155	62.6 Å²	62.6	67%	0.674	31%	0.309	S	S	*	.	H	α-helix	trans	-64.6	-43.2	175.6	-174.9	179.8	178.4	-177.3	0	111.4	N352 Y353 A354 R359 S360	N352-K356 VanDerWaalsContact O-CB 3.27Å; N352-K356 WeakPolarHBondContact O-CB 3.43Å; N352-K356 PolarHBondContact O-N 2.86Å; Y353-K356 PolarHBondContact O-N 3.43Å; A354-K356 PolarHBondContact O-N 2.92Å; K356-R359 PolarHBondContact O-N 3.3Å; K356-S360 PolarHBondContact O-N 3.05Å
357	N	93.5	Very high	91.3	Very high	16 Å²	16	63.1 Å²	63.1	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-50.8	177	-76.5	-9.8	0	0	0	111.1	I289 F291 Y353 A354 R359 S360 I361	I289-N357 VanDerWaalsContact O-CB 3.28Å; I289-N357 WeakPolarHBondContact O-CB 3.29Å; I289-N357 PolarHBondContact O-ND2 3.18Å; F291-N357 PolarHBondContact O-ND2 3.35Å; Y353-N357 WeakPolarHBondContact CD1-ND2 3.47Å; Y353-N357 WeakPolarHBondContact CE1-ND2 3.49Å; Y353-N357 WeakPolarHBondContact O-CB 3.23Å; Y353-N357 PolarHBondContact O-N 3.47Å; A354-N357 PolarHBondContact O-N 3.04Å; N357-R359 VanDerWaalsContact C-N 3.31Å; N357-R359 PolarHBondContact O-N 3.02Å; N357-S360 CarbonylContact O-C 3.57Å; N357-S360 WeakPolarHBondContact O-CB 3.35Å; N357-S360 PolarHBondContact O-N 2.82Å; N357-I361 HydrophobicContact CB-CD1 4.5Å; N357-I361 WeakPolarHBondContact O-CD1 2.95Å; N357-I361 WeakPolarHBondContact O-CG1 2.99Å; N357-I361 PolarHBondContact O-N 2.8Å
358	V	93.5	Very high	91.4	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-54.2	-47.9	177.4	166.8	0	0	0	0	110.9	I289 L320 Y322 A354 S360 I361 V362	I289-V358 HydrophobicContact CB-CG2 3.99Å; I289-V358 HydrophobicContact CG2-CG2 3.81Å; L320-V358 HydrophobicContact CD2-CG1 4.3Å; Y322-V358 HydrophobicContact CD1-CG1 4.02Å; Y322-V358 HydrophobicContact CD1-CG2 4.02Å; Y322-V358 HydrophobicContact CD2-CG2 4.13Å; Y322-V358 HydrophobicContact CE1-CB 4.27Å; Y322-V358 HydrophobicContact CE1-CG1 3.42Å; Y322-V358 VanDerWaalsContact CE1-CG1 3.42Å; Y322-V358 HydrophobicContact CE1-CG2 3.95Å; Y322-V358 HydrophobicContact CE2-CG2 4.03Å; Y322-V358 HydrophobicContact CG-CG2 4.11Å; A354-V358 WeakPolarHBondContact O-CG2 3.31Å; A354-V358 PolarHBondContact O-N 3.4Å; V358-S360 VanDerWaalsContact C-N 3.31Å; V358-S360 PolarHBondContact O-N 3.34Å; V358-I361 WeakPolarHBondContact O-CB 3.29Å; V358-I361 PolarHBondContact O-N 2.87Å; V358-I361 VanDerWaalsContact O-N 3.09Å; V358-V362 HydrophobicContact CG1-CG2 4.36Å; V358-V362 WeakPolarHBondContact O-CG2 3.2Å; V358-V362 PolarHBondContact O-N 3.25Å
359	R	92.8	Very high	91.4	Very high	175 Å²	175	60 Å²	60	66%	0.66	30%	0.3	S	S	*	.	H	α-helix	trans	-58.1	-44.2	177.2	-174.2	177	-177.8	173.4	3.2	111.9	F355 K356 N357 I361 Q363	F355-R359 WeakPolarHBondContact O-CB 3.29Å; F355-R359 PolarHBondContact O-N 2.86Å; K356-R359 PolarHBondContact O-N 3.3Å; N357-R359 VanDerWaalsContact C-N 3.31Å; N357-R359 PolarHBondContact O-N 3.02Å; R359-I361 VanDerWaalsContact C-N 3.32Å; R359-I361 PolarHBondContact O-N 3.16Å; R359-Q363 WeakPolarHBondContact O-CB 3.18Å; R359-Q363 WeakPolarHBondContact O-CG 3.42Å; R359-Q363 PolarHBondContact O-N 3.1Å
360	S	93.3	Very high	91.3	Very high	49 Å²	49	58.7 Å²	58.7	34%	0.343	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-33.8	176.9	-172.3	0	0	0	0	112.7	F293 K356 N357 V358 S364	F293-S360 WeakPolarHBondContact CE2-OG 3.03Å; K356-S360 PolarHBondContact O-N 3.05Å; N357-S360 CarbonylContact O-C 3.57Å; N357-S360 WeakPolarHBondContact O-CB 3.35Å; N357-S360 PolarHBondContact O-N 2.82Å; V358-S360 VanDerWaalsContact C-N 3.31Å; V358-S360 PolarHBondContact O-N 3.34Å; S360-S364 PolarHBondContact O-N 2.59Å
361	I	92.8	Very high	91.3	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-67.2	-55.1	177.1	-66.8	157.4	0	0	0	109.5	F293 P298 T300 L320 N357 V358 R359 Q363 S364 T365	F293-I361 HydrophobicContact CE2-CG1 3.86Å; F293-I361 HydrophobicContact CZ-CG1 4.14Å; P298-I361 HydrophobicContact CB-CG1 3.81Å; P298-I361 HydrophobicContact CB-CG2 4.19Å; T300-I361 HydrophobicContact CG2-CD1 3.75Å; T300-I361 HydrophobicContact CG2-CG2 4.29Å; L320-I361 HydrophobicContact CD2-CB 4.25Å; L320-I361 HydrophobicContact CD2-CG2 3.77Å; N357-I361 HydrophobicContact CB-CD1 4.5Å; N357-I361 WeakPolarHBondContact O-CD1 2.95Å; N357-I361 WeakPolarHBondContact O-CG1 2.99Å; N357-I361 PolarHBondContact O-N 2.8Å; V358-I361 WeakPolarHBondContact O-CB 3.29Å; V358-I361 PolarHBondContact O-N 2.87Å; V358-I361 VanDerWaalsContact O-N 3.09Å; R359-I361 VanDerWaalsContact C-N 3.32Å; R359-I361 PolarHBondContact O-N 3.16Å; I361-Q363 VanDerWaalsContact C-N 3.27Å; I361-Q363 PolarHBondContact O-N 3.17Å; I361-S364 CarbonylContact O-C 3.55Å; I361-S364 WeakPolarHBondContact O-CA 2.98Å; I361-S364 WeakPolarHBondContact O-CB 3.5Å; I361-S364 PolarHBondContact O-N 2.98Å; I361-T365 HydrophobicContact CG2-CG2 4.26Å; I361-T365 PolarHBondContact O-N 3.13Å; I361-T365 PolarHBondContact O-OG1 2.61Å
362	V	91.8	Very high	91.2	Very high	35 Å²	35	60.6 Å²	60.6	21%	0.212	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-41.4	179.5	173.4	0	0	0	0	111.1	L320 V358 S364 T365 G366	L320-V362 HydrophobicContact CB-CG2 4.19Å; L320-V362 HydrophobicContact CD2-CG2 4.11Å; V358-V362 HydrophobicContact CG1-CG2 4.36Å; V358-V362 WeakPolarHBondContact O-CG2 3.2Å; V358-V362 PolarHBondContact O-N 3.25Å; V362-S364 PolarHBondContact O-N 3.09Å; V362-T365 PolarHBondContact O-N 2.83Å; V362-G366 VanDerWaalsContact O-CA 3.26Å; V362-G366 WeakPolarHBondContact O-CA 3.33Å; V362-G366 PolarHBondContact O-N 3.14Å
363	Q	90.6	Very high	91.1	Very high	141 Å²	141	58.5 Å²	58.5	66%	0.659	29%	0.287	S	S	*	.	H	α-helix	trans	-60.2	-31.5	174	-76.9	175.1	-25.8	0	0	113.6	R359 I361	R359-Q363 WeakPolarHBondContact O-CB 3.18Å; R359-Q363 WeakPolarHBondContact O-CG 3.42Å; R359-Q363 PolarHBondContact O-N 3.1Å; I361-Q363 VanDerWaalsContact C-N 3.27Å; I361-Q363 PolarHBondContact O-N 3.17Å
364	S	90.5	Very high	91	Very high	66 Å²	66	56 Å²	56	46%	0.462	28%	0.282	S	S	.	.	H	α-helix	trans	-86.3	-38.6	179.9	-175.9	0	0	0	0	112.9	S360 I361 V362	S360-S364 PolarHBondContact O-N 2.59Å; I361-S364 CarbonylContact O-C 3.55Å; I361-S364 WeakPolarHBondContact O-CA 2.98Å; I361-S364 WeakPolarHBondContact O-CB 3.5Å; I361-S364 PolarHBondContact O-N 2.98Å; V362-S364 PolarHBondContact O-N 3.09Å
365	T	89.6	Confident	90.8	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-95.6	-24	-171.7	56.6	0	0	0	0	113.1	M302 R315 I361 V362	M302-T365 WeakPolarHBondContact O-CG2 3.19Å; R315-T365 PolarHBondContact NE-O 3.33Å; I361-T365 HydrophobicContact CG2-CG2 4.26Å; I361-T365 PolarHBondContact O-N 3.13Å; I361-T365 PolarHBondContact O-OG1 2.61Å; V362-T365 PolarHBondContact O-N 2.83Å
366	G	86.6	Confident	90.6	Very high	18 Å²	18	56.8 Å²	56.8	19%	0.186	29%	0.291	C	S	.	.			trans	72.3	-179.5	-157	0	0	0	0	0	111.6	V305 V362	V305-G366 WeakPolarHBondContact CG1-O 3.47Å; V362-G366 VanDerWaalsContact O-CA 3.26Å; V362-G366 WeakPolarHBondContact O-CA 3.33Å; V362-G366 PolarHBondContact O-N 3.14Å
367	G	78.4	Confident	90.3	Very high	13 Å²	13	47.8 Å²	47.8	13%	0.134	26%	0.256	C	S	.	.			trans	82.6	0	-177	0	0	0	0	0	111.7	S318 L320	S318-G367 CarbonylContact O-C 3.39Å; S318-G367 WeakPolarHBondContact O-CA 3.43Å; L320-G367 PolarHBondContact N-O 2.86Å

Retrieved 367 of 367 residues in 465.3 ms (Link to these results)

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